SCHEMBL3113441

SCHEMBL3113441

Ic1[c]cc2c(c1)OCO2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ATM Q13315 1/20 0.31
CMA1 P23946 1/20 0.31

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
SCHEMBL1096290 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL11789243 0.73 MEN1 (0.37) CYP3A4ABCG2HTR3EHTR3BHTR3A
SCHEMBL717364 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL789550 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL7047825 0.73 CYP3A4 (0.35) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL1742802 0.69 CYP3A4 (0.44) CYP3A4ABCG2HTR3EHTR3BHTR3A
SCHEMBL4403183 0.68 LMNA (0.41) CYP3A4ALDH1A1MAPK1ATM
SCHEMBL8472910 0.68 ALDH1A1 (0.33) CYP3A4ABCG2ALDH1A1TAAR1
SCHEMBL20564350 0.68 HSD17B10 (0.33) CYP3A4ABCG2ALDH1A1HSD17B10TDP1
SCHEMBL910508 0.66 MAPT (0.47) CYP3A4ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO claimed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
EP-2026882-A2 ASSOCIATION OF A TENSOR AGENT OR DEVICE AND A SACCHARIDE COMPOUND L'Oréal (FR) 2009-02-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed
WO-2007128939-A2 ASSOCIATION OF A TENSOR AGENT OR DEVICE AND A SACCHARIDE COMPOUND L'OREAL (FR) 2007-11-15 WO disclosed
EP-1792642-A2 Cosmetic composition comprising a statistic polymer with an ethylenic main chain L'OREAL (FR) 2007-06-06 EP disclosed
EP-1776946-A2 Cosmetic composition containing a statistical vinyl polymer with linear main chain L'OREAL (FR) 2007-04-25 EP disclosed
EP-0676451-B1 Aqueous dispersions of resins, their use in cosmetics and cosmetic compositions obtained therefrom OREAL (FR) 1997-02-05 EP disclosed
EP-0676451-A1 Aqueous dispersions of resins, their use in cosmetics and cosmetic compositions obtained therefrom L'OREAL (FR) 1995-10-11 EP 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 (2 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CYP3A4 2120/4885ABCG2 67/4885HTR3E 2865/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 CYP3A4 2120/4885ABCG2 67/4885HTR3E 2865/4885

“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.