SCHEMBL10031633

SCHEMBL10031633

CCc1cc(C(C)(C)CC(C)(C)C)cc(-n2n3c4ccccc4n23)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SHBG P04278 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ESR1 P03372 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ AR P10275 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ DRD1 P21728 1/20 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
SCHEMBL2608675 0.91 CYP3A4 (0.40) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL2612596 0.91 CYP3A4 (0.40) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL13652843 0.86 BCL2 (0.39) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL14513849 0.81 CYP3A4 (0.34) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL9002356 0.80 CYP3A4 (0.45) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL2612597 0.80 SHBG (0.36) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL13652839 0.79 CYP3A4 (0.34) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL200945 0.78 IDH1 (0.53) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL17171809 0.77 CYP3A4 (0.36) CYP3A4HIF1AIDH1ALDH1A1CYP2C9
SCHEMBL13652840 0.77 CYP3A4 (0.41) CYP3A4HIF1AIDH1ALDH1A1CYP2C9

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-8110589-B2 Ectoparasiticide composition and a method for exterminating extoparasites KYOYU AGRI CO., LTD. (JP) 2012-02-07 — — US disclosed
US-20090312378-A1 ECTOPARASITICIDE COMPOSITION AND A METHOD FOR EXTERMINATING ECTOPARASITES YASHIMA SANGYO CO., LTD. (JP) 2009-12-17 — — 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-20090312378-A1 ECTOPARASITICIDE COMPOSITION AND A METHOD FOR EXTERMINATING ECTOPARASITES EPX, TYR, PPOX CYP3A4 266/4885HIF1A 2195/4885IDH1 3591/4885

“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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