SCHEMBL4066357

SCHEMBL4066357

CC(C)(C)c1ccc(CO)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.46
▸ EPHX2 P34913 5/20 0.44
▸ NR1H4 Q96RI1 5/20 0.44
▸ KLF10 Q13118 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ PPARG P37231 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL22648361 0.84 KLF10 (0.48) CYP2C19EPHX2NR1H4KLF10CYP1A2
SCHEMBL10235441 0.82 CYP2C19 (0.47) CYP2C19EPHX2NR1H4CYP1A2ALDH1A1
SCHEMBL22275799 0.81 KLF10 (0.53) CYP2C19EPHX2KLF10CYP1A2ALDH1A1
SCHEMBL4517620 0.80 CYP2C19 (0.43) CYP2C19EPHX2NR1H4CYP1A2ALDH1A1
SCHEMBL25530524 0.80 EPHX2 (0.43) CYP2C19EPHX2NR1H4CYP1A2ALDH1A1
SCHEMBL92913 0.80 PDE2A (0.49) ALDH1A1GAAKDM4EMAPTSLC6A4
SCHEMBL30523915 0.80 PDE2A (0.49) ALDH1A1GAAKDM4EMAPTSLC6A4
SCHEMBL12401848 0.80 PNMT (0.43) CYP2C19EPHX2NR1H4CYP1A2ALDH1A1
SCHEMBL1447610 0.79 KLF10 (0.47) CYP2C19EPHX2KLF10CYP1A2ALDH1A1
SCHEMBL7979494 0.79 KLF10 (0.47) CYP2C19EPHX2NR1H4KLF10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 — — US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 — — US disclosed
EP-1346993-B1 LACTAM COMPOUNDS AND MEDICAL USE THEREOF AJINOMOTO KK (JP) 2009-10-21 — — EP disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 — — US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 — — US disclosed
US-7153850-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-12-26 — — US disclosed
US-20060189597-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-08-24 — — US disclosed
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2004-03-11 — — US disclosed
EP-1346993-A1 LACTAM COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2003-09-24 — — 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 (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-20060189597-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 CYP2C19 2211/4885EPHX2 4637/4885NR1H4 3094/4885
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 CYP2C19 2211/4885EPHX2 4637/4885NR1H4 3094/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP2C19 465/4885EPHX2 1575/4885NR1H4 258/4885
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A8, SLC2A1 CYP2C19 2211/4885EPHX2 4637/4885NR1H4 3094/4885

“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.

Send feedback