SCHEMBL4657188

SCHEMBL4657188

COC(=O)C=COc1cc(C)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.40
NPC1 O15118 4/20 0.38
ATM Q13315 2/20 0.38
RAB9A P51151 3/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL4657184 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHPGDNPSR1CYP2C9
SCHEMBL4657172 0.84 ALDH1A1 (0.41) ALDH1A1MAPTHPGDNPSR1CYP2C9
SCHEMBL4657171 0.84 ALDH1A1 (0.41) ALDH1A1MAPTHPGDNPSR1CYP2C9
SCHEMBL15902989 0.79 EPHX2 (0.35) ALDH1A1MAPTHPGDCYP2C9CYP2C19
SCHEMBL28440000 0.78 SRC (0.41) ALDH1A1MAPTHPGDCYP2C9CYP2C19
SCHEMBL28925118 0.78 KMT2A (0.44) ALDH1A1MAPTKMT2AL3MBTL1LMNA
SCHEMBL18353123 0.75 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCYP2C9CYP2C19
SCHEMBL13960542 0.72 MAPT (0.38) ALDH1A1MAPTHPGDNPSR1CYP2C9
SCHEMBL14926720 0.72 MAPT (0.50) ALDH1A1MAPTHPGDNPSR1CYP2C9
SCHEMBL28656820 0.71 TSHR (0.39) ALDH1A1MAPTHPGDMEN1POLB

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
EP-1996589-A1 CHROMANE DERIVATIVES RaQualia Pharma Inc (JP) 2008-12-03 EP disclosed
WO-2007107827-A1 CHROMANE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2007-09-27 WO disclosed
US-20070219237-A1 Chromane Derivatives PFIZER INC 2007-09-20 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 (1 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-20070219237-A1 Chromane Derivatives HRH2, HRH1, CHRM1 ALDH1A1 2284/4885MAPT 4857/4885HPGD 534/4885

“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.