SCHEMBL4815947

SCHEMBL4815947

Cc1cc(-c2cccc(O)c2)cc(C)c1OCCO

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 13/20 0.51
HSD17B2 P37059 13/20 0.51
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR2 Q92731 3/20 0.40
ESR1 P03372 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2B6 P20813 1/20 0.40

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
SCHEMBL7112190 0.83 ALDH1A1 (0.48) KDM4EALDH1A1ESR2
SCHEMBL4814971 0.81 ESR1 (0.45) KDM4EALDH1A1ESR2ESR1
SCHEMBL4811287 0.79 MRGPRX4 (0.51) ALDH1A1
SCHEMBL515980 0.77 ALDH1A1 (0.61) CYP3A4CYP2C9CYP2D6KDM4EALDH1A1
SCHEMBL7346114 0.75 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9CYP2D6
SCHEMBL4818369 0.74 RAB9A (0.53) CYP3A4CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL3398525 0.73 HTR1A (0.58) KDM4EALDH1A1
Alcohol SCHEMBL9461730 0.72 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9CYP2D6
SCHEMBL14041001 0.71 HSD17B1 (0.71) HSD17B1HSD17B2CYP3A4CYP2C9CYP2D6
Alcohol SCHEMBL23879308 0.70 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2C9CYP2D6

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-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 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 (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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A HSD17B1 520/4885HSD17B2 370/4885CYP3A4 101/4885

“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.