SCHEMBL278798

SCHEMBL278798

COc1cc(OC)cc(C(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CYP1A1 P04798 6/20 0.46
CYP1B1 Q16678 6/20 0.46
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP2C8 P10632 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP4B1 P13584 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP3A5 P20815 2/20 0.41
CYP2A7 P20853 2/20 0.41
CYP3A7 P24462 2/20 0.41
CYP2F1 P24903 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3807248 0.94 ALDH1A1 (0.53) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL27487636 0.89 ALDH1A1 (0.48) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL22653006 0.89 ALDH1A1 (0.48) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL5546107 0.87 CYP1A1 (0.46) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL29585476 0.87 CYP1A1 (0.46) ALDH1A1CA1CA2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL27510774 0.87 ALDH1A1 (0.46) ALDH1A1CA1CA2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL4060943 0.87 ALDH1A1 (0.46) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL309760 0.85 GABRA1 (0.65) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL6370544 0.85 ALDH1A1 (0.43) ALDH1A1CA1CA2CYP1A1CYP1B1
SCHEMBL19294275 0.85 ALDH1A1 (0.44) ALDH1A1CA1CA2CYP1A1CYP1B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122152-A1 KAT6 Inhibitors BEIGENE SWITZERLAND GMBH (CH) 2025-04-17 US disclosed
WO-2025068943-A1 KAT6 INHIBITORS BEIGENE SWITZERLAND GMBH (CH) 2025-04-03 WO disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSTIY OF TENNESSEE RESEARCH FOUNDATION 2007-07-19 US disclosed
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-07-19 US disclosed
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-07-19 US disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-7176231-B2 Aryl-containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-13 US disclosed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885CA1 4510/4885CA2 4082/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A ALDH1A1 173/4885CA1 2705/4885CA2 1193/4885
US-12023385-B2 Tunable endogenous protein degradation with heterobifunctional compounds DBN1, MYCBP, PSMG3 ALDH1A1 4238/4885CA1 4322/4885CA2 4679/4885
US-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 ALDH1A1 874/4885CA1 504/4885CA2 2171/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT ALDH1A1 3877/4885CA1 2640/4885CA2 2233/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 ALDH1A1 4234/4885CA1 4761/4885CA2 4774/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ALDH1A1 4861/4885CA1 1502/4885CA2 2601/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 ALDH1A1 1567/4885CA1 2850/4885CA2 1127/4885
US-20250122152-A1 KAT6 Inhibitors KAT6A, KAT6B, KAT7 ALDH1A1 3555/4885CA1 1237/4885CA2 2848/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885CA1 4396/4885CA2 4029/4885
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 ALDH1A1 1939/4885CA1 1032/4885CA2 1443/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.