SCHEMBL1492630

SCHEMBL1492630

CCOc1cc(C)[c]cc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPBWR1 P48145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCHR1 Q99705 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1821256 0.83 KDM4E (0.35) ALDH1A1TSHRKDM4EKMT2AMEN1
SCHEMBL1819414 0.81 GAA (0.46) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL11777103 0.79 ESR1 (0.36) ALDH1A1HSD17B10TSHRMAPTTAS1R3
SCHEMBL11777747 0.76 KDM4E (0.40) ALDH1A1TSHRMAPTKDM4EPOLB
SCHEMBL5942760 0.76 KDM4E (0.44) TSHRMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL2625747 0.72 LMNA (0.47) ALDH1A1HSD17B10TSHRNPSR1MAPT
SCHEMBL8246277 0.69 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRMAPTKDM4E
SCHEMBL10798128 0.68 LMNA (0.39) LMNA
SCHEMBL2287151 0.68 LMNA (0.47) ALDH1A1HSD17B10TSHRMAPTKMT2A
SCHEMBL12051647 0.67 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US claimed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP claimed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO claimed
US-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-10-13 US disclosed
US-20110207733-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. 2011-08-25 US disclosed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US disclosed
EP-2312946-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-04-27 EP disclosed
EP-2312945-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Corp. (US) 2011-04-27 EP disclosed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP disclosed
WO-2010019393-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2010019392-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-02-18 WO disclosed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 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 (3 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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 ALDH1A1 2026/4885HSD17B10 2288/4885TSHR 4702/4885
US-20110207733-A1 PYRIMIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE TYMP, BACE1, TYMS ALDH1A1 1945/4885HSD17B10 2959/4885TSHR 4696/4885
US-20110251172-A1 PURINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, APP, PSEN1 ALDH1A1 1553/4885HSD17B10 3434/4885TSHR 4734/4885

“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.