SCHEMBL845798

SCHEMBL845798

CCC(C)(C)c1cc(OC)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 7/20 0.36
CNR1 P21554 6/20 0.36
TRPV1 Q8NER1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL19297922 0.87 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AMAPTCYP1A1
SCHEMBL20288257 0.86 NPC1 (0.36) ALDH1A1NPC1RAB9AMAPTCA1
SCHEMBL3434656 0.83 PTGS2 (0.39) ALDH1A1NPC1RAB9AMAPTCA1
SCHEMBL17129735 0.83 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A1CYP1B1CA1
SCHEMBL5672146 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL15506135 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL23802246 0.79 CNR2 (0.50) ALDH1A1CNR2CNR1TRPV1PTGS2
SCHEMBL3435840 0.79 KIF11 (0.46) ALDH1A1NPC1RAB9AMAPTCA1
SCHEMBL19251170 0.78 CYP11B1 (0.38) NPC1RAB9AMAPTCYP1A1CYP1B1
SCHEMBL3436081 0.77 NPC1 (0.60) ALDH1A1NPC1RAB9AMAPTCA1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709724-A1 ANTICONVULSIVE COMPOUNDS AND USES THEREOF Jazz Pharmaceuticals Research UK Limited (GB) 2026-03-18 EP disclosed
WO-2024236275-A1 ANTICONVULSIVE COMPOUNDS AND USES THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-11-21 WO disclosed
US-11124503-B2 Compositions and methods for acylating lactams CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-09-21 US disclosed
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-03-14 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-7649110-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-01-19 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO 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 (4 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-11124503-B2 Compositions and methods for acylating lactams COASY, ASNS, NAAA ALDH1A1 894/4885NPC1 1267/4885RAB9A 1724/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 ALDH1A1 1216/4885NPC1 1518/4885RAB9A 2453/4885
US-20190077796-A1 COMPOSITIONS AND METHODS FOR ACYLATING LACTAMS COASY, NAAA, ASNS ALDH1A1 1884/4885NPC1 1472/4885RAB9A 2063/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 ALDH1A1 1216/4885NPC1 1518/4885RAB9A 2453/4885

“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.