SCHEMBL85405

SCHEMBL85405

CC(C)(C)c1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 2/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 2/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
GABRA1 P14867 1/20 0.44
MAOA P21397 1/20 0.44
PDE4A P27815 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL30567467 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4HTTLMNAHSP90AA1
SCHEMBL84835 0.87 TRPV1 (0.49) MAPTTRPV1MAPK1SMN1; SMN2
SCHEMBL18501694 0.84 ALDH1A1 (0.56) ALDH1A1HTTMAPTTRPV1NPSR1
SCHEMBL8284590 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4HTTMAPTTRPV1
SCHEMBL22338921 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4TRPV1ATMHSD17B10
SCHEMBL12744647 0.83 TRPV1 (0.46) MAPTTRPV1MAPK1SMN1; SMN2
SCHEMBL933157 0.83 CYP3A4 (0.50) ALDH1A1CYP3A4MAPTRECQLTRPV1
SCHEMBL22134735 0.83 TRPV1 (0.46) MAPTTRPV1MAPK1SMN1; SMN2
SCHEMBL14349288 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4HTTRECQLTRPV1
SCHEMBL5288474 0.83 CYP3A4 (0.45) ALDH1A1CYP3A4MAPTATMHSD17B10

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 1171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-12043621-B2 Small molecule inhibitors of Interleukin-4 TRUSTEES OF BOSTON UNIVERSITY (US) 2024-07-23 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240225979-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR HAIR TREATMENT ODDITY LABS, LLC 2024-07-11 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
WO-2024112918-A1 RNA DEGRADERS AND USES THEREOF ARRAKIS THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-20240136585-A1 ELECTROLYTES FOR LITHIUM-CONTAINING BATTERY CELLS APPLE INC. (US) 2024-04-25 US disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 WO disclosed
WO-2005087726-A1 NOVEL ARYL-CONTAINING 5-ACYLINDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
WO-2005087761-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (8 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 ALDH1A1 383/4885CYP3A4 46/4885HTT 2307/4885
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ALDH1A1 1305/4885CYP3A4 1491/4885HTT 2775/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A ALDH1A1 173/4885CYP3A4 1127/4885HTT 2566/4885
US-20240136585-A1 ELECTROLYTES FOR LITHIUM-CONTAINING BATTERY CELLS CEL, CA3, SLC9B2 ALDH1A1 2487/4885CYP3A4 2881/4885HTT 2821/4885
US-12043621-B2 Small molecule inhibitors of Interleukin-4 IL4, IL2, IL4I1 ALDH1A1 3144/4885CYP3A4 364/4885HTT 2949/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP ALDH1A1 4861/4885CYP3A4 4470/4885HTT 1492/4885
US-20240225979-A1 COMPOSITIONS, FORMULATIONS, AND METHODS FOR HAIR TREATMENT SUCLG1, NGF, CUTA ALDH1A1 900/4885CYP3A4 3333/4885HTT 136/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 ALDH1A1 128/4885CYP3A4 63/4885HTT 616/4885

“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.