SCHEMBL5392156

SCHEMBL5392156

COC(=O)c1ccc(CCOc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.77
▸ RAB9A P51151 2/20 0.77
▸ KDM4E B2RXH2 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NPC1 O15118 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ FFAR1 O14842 1/20 0.56
▸ CYP4A11 Q02928 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PPARG P37231 2/20 0.54
▸ CYP4F2 P78329 1/20 0.54
▸ MGLL Q99685 1/20 0.54
▸ LOXL2 Q9Y4K0 1/20 0.51
▸ PKM P14618 1/20 0.51

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
SCHEMBL4361298 0.94 MAPT (0.77) MAPTRAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL14966681 0.92 MAPT (0.74) MAPTRAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL7776765 0.87 MAPT (0.71) MAPTRAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL5284759 0.87 MAPT (1.00) MAPTRAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL14967260 0.86 MAPT (0.68) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14966315 0.86 MAPT (0.68) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4364300 0.86 MAPT (0.74) MAPTRAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL9038241 0.86 MAPT (0.68) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24844734 0.85 MAPT (0.90) MAPTRAB9AKDM4ESMN1; SMN2MEN1
SCHEMBL6539224 0.85 MAPT (0.90) MAPTRAB9AKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160192651-A1 PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2016-07-07 — — US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 — — EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 — — WO disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 — — US disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 — — US disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 — — US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 — — US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 — — US disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 — — US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 — — US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 — — EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 — — US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 — — 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 (4 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-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR MAPT 3809/4885RAB9A 2922/4885KDM4E 4329/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MAPT 4745/4885RAB9A 1955/4885KDM4E 4477/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MAPT 4783/4885RAB9A 1929/4885KDM4E 4538/4885
US-20160192651-A1 PESTICIDE DDT, ACHE, KCNH1 MAPT 4454/4885RAB9A 180/4885KDM4E 217/4885

“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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