SCHEMBL8898221

SCHEMBL8898221

CC(C)c1cc(C(C)C)cc(C(C)(C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ FABP3 P05413 2/20 0.35
▸ FABP4 P15090 2/20 0.35
▸ FABP5 Q01469 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TRPA1 O75762 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CAMK1D Q8IU85 1/20 0.31
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL15328304 0.95 CYP2D6 (0.38) CYP2D6HIF1ACYP2C9GABRA1GABRB2
SCHEMBL16259555 0.89 GABRA1 (0.44) CYP2D6HIF1ACYP2C9GABRA1GABRB2
SCHEMBL10203676 0.85 SLC6A3 (0.33) CYP2D6HIF1ACYP2C9GABRA1GABRB2
SCHEMBL23113724 0.85 HIF1A (0.34) CYP2D6HIF1ACYP2C9GABRA1GABRB2
SCHEMBL16259688 0.85 AR (0.39) ALDH1A1PDE2A
SCHEMBL7085860 0.79 GABRA1 (0.42) CYP2D6HIF1ACYP2C9GABRA1GABRB2
SCHEMBL31095742 0.78 KIF11 (0.46) CYP2D6HIF1ACYP2C9TRPA1PTGS1
SCHEMBL3370465 0.78 KIF11 (0.46) CYP2D6HIF1ACYP2C9TRPA1PTGS1
SCHEMBL19507229 0.76 KIF11 (0.44) GAA
Hydrogen Peroxide SCHEMBL29420463 0.76 KIF11 (0.49) CYP2D6HIF1ACYP2C9TRPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281742-A1 METHOD AND SYNTHESIS OF INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2013-10-24 — — US disclosed
US-20130281742-A1 METHOD AND SYNTHESIS OF INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2013-10-24 — — US disclosed
US-20130281742-A1 METHOD AND SYNTHESIS OF INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2013-10-24 — — US disclosed
WO-2012094246-A1 METHOD FOR THE SYNTHESIS OF INITIATORS FOR TELECHELIC POLYISOBUTYLENES THE UNIVERSITY OF AKRON (US) 2012-07-12 — — WO disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 — — EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 — — US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 — — 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-20130281742-A1 METHOD AND SYNTHESIS OF INITIATORS FOR TELECHELIC POLYISOBUTYLENES TET1, TET3, DNMT1 CYP2D6 1290/4885HIF1A 2128/4885CYP2C9 1252/4885

“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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