SCHEMBL7623372

SCHEMBL7623372

Cc1cc(C(C)(C)C)[nH]c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DAO P14920 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATP2A2 P16615 1/20 0.31
▸ ATP2A3 Q93084 1/20 0.31
▸ MAPK1 P28482 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL9381741 0.77 NOTUM (0.53) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL4011812 0.77 DAO (0.32) KDM4EGAAHPGDDAOPOLB
SCHEMBL29330288 0.77 ALDH1A1 (0.38) KDM4EGAAHPGDDAONOTUM
SCHEMBL13487954 0.72 DAO (0.33) DAOALDH1A1
SCHEMBL33270 0.71 — —
SCHEMBL28916527 0.70 — —
SCHEMBL3231528 0.69 MAPK14 (0.39) KDM4EGAAHPGDHSD17B10NOTUM
SCHEMBL16418933 0.69 NOTUM (0.70) KDM4EGAAHPGDHSD17B10DAO
SCHEMBL20078274 0.67 BRD4 (0.46) KDM4EGAAHPGDHSD17B10DAO
SCHEMBL3709397 0.67 KDM4E (0.38) KDM4EHPGDHSD17B10POLBALDH1A1

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
WO-2016191658-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-12-01 — — WO disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 — — US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 — — US disclosed
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2010-02-18 — — US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 — — US disclosed
EP-1192189-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000050470-A2 CATALYSTS CONTAINING N-PYRROLYL SUBSTITUTED NITROGEN DONORS EASTMAN CHEMICAL COMPANY (US) 2000-08-31 — — WO 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 (3 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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP KDM4E 2160/4885GAA 2651/4885HPGD 346/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 KDM4E 2769/4885GAA 780/4885HPGD 1063/4885
US-20100041642-A1 UREA INHIBITORS OF MAP KINASES MAP4K2, MAP3K1, MAP3K20 KDM4E 2770/4885GAA 1948/4885HPGD 819/4885

“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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