SCHEMBL13856943

SCHEMBL13856943

Oc1c(C(O)(c2ccccc2)c2ccc3ccccc3c2O)ccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 1.00
▸ HPGD P15428 2/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ CFTR P13569 1/20 0.49
▸ GOPC Q9HD26 1/20 0.49
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ LDHA P00338 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL5596069 0.80 HSD17B10 (0.67) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL25710684 0.79 HSD17B10 (0.65) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL15505858 0.75 HSD17B10 (0.60) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL2328498 0.75 HSD17B10 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL2220947 0.75 HSD17B10 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL22473836 0.75 HSD17B10 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL7304753 0.75 HSD17B10 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL2355481 0.75 CYP1A2 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL3389391 0.74 HSD17B10 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6
SCHEMBL8384856 0.74 HSD17B10 (0.59) HSD17B10HPGDCYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD HSD17B10 2065/4885HPGD 2147/4885CYP2C19 4858/4885

“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.

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