SCHEMBL2862345

SCHEMBL2862345

CC1(C)CC(C)(O)c2ccc(O)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CNR2 P34972 3/20 0.39
AKR1B1 P15121 3/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP3A4 P08684 1/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMAD3 P84022 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT1 Q99873 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
SCHEMBL18545627 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL10824431 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL29392829 0.74 KDM4E (0.41) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL3362045 0.74 KDM4E (0.41) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL282032 0.73 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL14862455 0.71 BACE1 (0.49) MAPTCNR2AKR1B1KMT2ACNR1
SCHEMBL13615616 0.71 FTO (0.43) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL31254037 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL4974003 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTESR1ESR2
SCHEMBL31545782 0.69 MAPT (0.38) ALDH1A1KDM4EMAPTCNR2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-08-19 US disclosed
US-7727980-B2 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-06-01 US disclosed
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods ZHI LIN 2006-06-15 US disclosed
US-7026484-B2 For therapy of cancer LIGAND PHARMACEUTICALS INCORPORATED (US) 2006-04-11 US disclosed
EP-1363909-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
US-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2002-12-05 US disclosed
WO-2002066475-A2 TRICYCLIC ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-08-29 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-20020183346-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA ALDH1A1 1433/4885KDM4E 1001/4885MAPT 3934/4885
US-20070293528-A9 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA ALDH1A1 1433/4885KDM4E 1001/4885MAPT 3934/4885
US-20100210678-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA ALDH1A1 1403/4885KDM4E 1732/4885MAPT 4404/4885
US-20060128740-A1 Tricyclic androgen receptor modulator compounds and methods AR, NR5A1, ESRRA ALDH1A1 1433/4885KDM4E 1001/4885MAPT 3934/4885

“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.