SCHEMBL19153183

SCHEMBL19153183

CC(C)c1ccc2c(c1)C(C)(C)c1cc(-c3c(O)ccc4ccccc34)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ HSD17B1 P14061 2/20 0.36
▸ CYP2B6 P20813 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ AKR1C3 P42330 3/20 0.36
▸ AKR1C2 P52895 3/20 0.36
▸ DHFR P00374 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ FGFR1 P11362 1/20 0.35

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
SCHEMBL19153264 0.88 PDK2 (0.41) PDK2AKR1C3AKR1C2DHFRMEN1
SCHEMBL19152597 0.86 ALOX5 (0.44) ALOX5PDK2CYP1A2CYP3A4CYP2D6
SCHEMBL19152981 0.78 TRPA1 (0.44) PDK2CYP3A4MEN1MAPTKMT2A
SCHEMBL20152525 0.77 PDK2 (0.42) PDK2CYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL20152524 0.77 PDK2 (0.40) PDK2CYP1A2CYP2C19AKR1C3AKR1C2
SCHEMBL1102529 0.77 CYP17A1 (0.36) PDK2AKR1C3AKR1C2
SCHEMBL9916201 0.76 TNKS (0.37) PDK2CYP1A2MEN1MAPTKMT2A
SCHEMBL19153699 0.76 PDK2 (0.49) PDK2MEN1MAPTKMT2AALDH1A1
SCHEMBL19153181 0.75 ALOX5 (0.41) ALOX5PDK2CYP1A2CYP3A4CYP2D6
SCHEMBL23845798 0.75 PTPN5 (0.40) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204129-A1 NOVEL TRANSITION METAL COMPOUND, TRANSITION METAL CATALYST COMPOSITION FOR POLYMERIZING OLEFIN, CONTAINING SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN BY USING SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2017-07-20 — — 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-20170204129-A1 NOVEL TRANSITION METAL COMPOUND, TRANSITION METAL CATALYST COMPOSITION FOR POLYMERIZING OLEFIN, CONTAINING SAME, AND METHOD FOR PREPARING ETHYLENE HOMOPOLYMER OR COPOLYMER OF ETHYLENE AND ALPHA-OLEFIN BY USING SAME ETFA, ETFB, EMC2 ALOX5 86/4885PDK2 2713/4885CYP1A2 1607/4885

“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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