SCHEMBL1398744

SCHEMBL1398744

COC(=O)c1cccc2oc(C)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.42
CFTR P13569 1/20 0.42
POLB P06746 2/20 0.42
PLIN1 O60240 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
PLIN5 Q00G26 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL6676335 0.84 TSHR (0.54) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL496357 0.81 CA12 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL16160316 0.81 KDM4E (0.44) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL31588806 0.80 KDM4E (0.44) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL1380868 0.80 ALDH1A1 (0.50) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL14744629 0.80 CYP1A1 (0.38) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10924850 0.79 KDM4E (0.44) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL15842329 0.77 CYP2A6 (0.57) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL21527410 0.77 MAPT (0.41) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL15349451 0.77 NPC1 (0.44) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 US disclosed
EP-3421458-B1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-11-11 EP disclosed
US-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-10-08 US disclosed
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 JANSSEN PHARMACEUTICA NV (BE) 2020-08-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 JANSSEN PHARMACEUTICA NV (BE) 2019-05-23 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
CN-109475530-A For treating the aminoacyl indazole immunomodulator of autoimmune disease 洛克菲勒大学 2019-03-15 CN disclosed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO disclosed
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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 (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-20200317629-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 NPC1 1205/4885RAB9A 3467/4885ALDH1A1 2452/4885
US-20190152937-A1 BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120 GPR119, GPR180, GPR55 NPC1 1205/4885RAB9A 3467/4885ALDH1A1 2452/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NPC1 674/4885RAB9A 717/4885ALDH1A1 1961/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 NPC1 1041/4885RAB9A 2176/4885ALDH1A1 702/4885
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI NPC1 4711/4885RAB9A 3162/4885ALDH1A1 2068/4885
US-11254647-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 NPC1 1205/4885RAB9A 3467/4885ALDH1A1 2452/4885
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R NPC1 610/4885RAB9A 4158/4885ALDH1A1 1544/4885
US-10730847-B2 Benzo-fused heterocyclic derivatives useful as agonists of GPR120 GPR119, GPR180, GPR55 NPC1 1205/4885RAB9A 3467/4885ALDH1A1 2452/4885

“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.