SCHEMBL18170280

SCHEMBL18170280

CC(C)c1ccccc1CC(=O)c1ccc(OC2CCCCO2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR3 Q99500 2/20 0.36
PTPN1 P18031 3/20 0.36
DHFR P00374 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX5 P09917 1/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL18170299 0.83 NPC1 (0.44) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL1940843 0.80 HPGD (0.49) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL12930769 0.79 ESR1 (0.52) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL29546185 0.78 NPC1 (0.51) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL18796445 0.78 NPC1 (0.51) ALDH1A1MAPK1MAPTNPC1RAB9A
SCHEMBL18170291 0.77 P2RX4 (0.37) TTRALDH1A1MAPK1MAPTNPC1
SCHEMBL16341669 0.77 LMNA (0.54) ALDH1A1MAPK1KDM4EMAPTNPC1
SCHEMBL22925090 0.77 HPGD (0.43) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL29574775 0.77 HPGD (0.43) ALDH1A1MAPTNPC1RAB9AHPGD
SCHEMBL30065877 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
WO-2016174551-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-11-03 WO disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 US 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TTR 4674/4885ALDH1A1 3275/4885MAPK1 835/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 TTR 4674/4885ALDH1A1 3275/4885MAPK1 835/4885

“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.