SCHEMBL127320

SCHEMBL127320

CC(C)(O)c1c[c]ccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
OPRD1 P41143 1/20 0.30
MAPK1 P28482 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL10706522 0.83 NR1H2 (0.32) ALDH1A1ALOX15TSHR
SCHEMBL24702 0.81 TSHR (0.35) ALDH1A1ALOX15MAPK1TSHR
SCHEMBL5838774 0.81 ESR1 (0.38) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL3605948 0.77 ALDH1A1 (0.33) ALDH1A1MAPK1TSHRHSD11B1
SCHEMBL1243645 0.77 PDE2A (0.34) MAPTKMT2AMAPK1
SCHEMBL3608833 0.77 ALDH1A1 (0.33) ALDH1A1MAPK1TSHR
SCHEMBL28838178 0.77 ALDH1A1 (0.57) ALDH1A1ALOX15MAPK1
SCHEMBL16241468 0.77 CHRM3 (0.33) CYP2C19
SCHEMBL3480836 0.76 ESR1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL127323 0.76 NR1H2 (0.43) ALOX15KMT2AMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174643-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-05-30 US claimed
EP-4355741-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Biotheryx, Inc. (US) 2024-04-24 EP claimed
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 US claimed
WO-2022266248-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-12-22 WO claimed
CN-105980386-B Pyrazolo compounds and uses thereof 基因泰克公司 2021-08-13 CN claimed
EP-3758706-A2 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME The Regents Of The University Of Colorado (US) 2021-01-06 EP claimed
US-20200405723-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2020-12-31 US claimed
EP-3019490-B1 N,6-BIS(ARYL OR HETEROARYL)-1,3,5-TRIAZINE-2,4-DIAMINE COMPOUNDS AS IDH2 MUTANTS INHIBITORS FOR THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2020-06-03 EP claimed
EP-2970307-B1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-03-11 EP claimed
US-10111878-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer AGIOS PHARMACEUTICALS, INC. (US) 2018-10-30 US claimed
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-22 US claimed
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-06-15 US claimed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO claimed
WO-2006010095-A2 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS INC. (US) 2006-01-26 WO claimed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO claimed

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

For each of this compound's patents that has machine-readable text (9 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-10111878-B2 N,6-bis(aryl or heteroaryl)-1,3,5-triazine-2,4-diamine compounds as IDH2 mutants inhibitors for the treatment of cancer IDH2, IDH3B, IDH3A ALDH1A1 113/4885ALOX15 3977/4885ESR1 3738/4885
US-20060135581-A1 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ASPH, DNPEP, APP ALDH1A1 1161/4885ALOX15 1738/4885ESR1 3282/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885ALOX15 3591/4885ESR1 3735/4885
US-20200405723-A1 WEE1 KINASE INHIBITORS AND METHODS OF TREATING CANCER USING THE SAME WEE1, WEE2, NME1 ALDH1A1 3933/4885ALOX15 3675/4885ESR1 1788/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE ALDH1A1 393/4885ALOX15 1413/4885ESR1 4760/4885
US-20240174643-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST ALDH1A1 3542/4885ALOX15 3501/4885ESR1 1166/4885
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST ALDH1A1 3542/4885ALOX15 3501/4885ESR1 1166/4885
US-20060128715-A1 Oxime derivative hydroxyethylamine aspartyl-protease inhibitors ASPH, DNPEP, APP ALDH1A1 1177/4885ALOX15 1524/4885ESR1 3465/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885ALOX15 3591/4885ESR1 3735/4885

“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.