SCHEMBL5406816

SCHEMBL5406816

Cc1ccc(O)c(N=Cc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.65
MAPT P10636 10/20 0.65
LMNA P02545 7/20 0.65
HTT P42858 5/20 0.65
ALDH1A1 P00352 10/20 0.57
HPGD P15428 6/20 0.57
POLB P06746 4/20 0.57
ALOX15 P16050 4/20 0.57
HSD17B10 Q99714 4/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NPC1 O15118 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TP53 P04637 1/20 0.57
NR4A1 P22736 1/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL5406815 1.00 KDM4E (0.65) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL22103735 0.83 MAPT (0.61) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL11422778 0.82 AKR1C3 (0.45) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL11422776 0.82 AKR1C3 (0.45) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL22624746 0.81 MAPT (0.78) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL5084597 0.81 MAPT (0.50) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL5084594 0.81 MAPT (0.50) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL28759220 0.80 MAPT (0.76) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL10873827 0.80 MAPT (0.56) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL10873825 0.80 MAPT (0.56) KDM4EMAPTLMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1241909-C Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN 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
CN-1418187-A Carboxylic acid derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2003-05-14 CN 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 (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-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 KDM4E 4329/4885MAPT 3809/4885LMNA 2110/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 KDM4E 4477/4885MAPT 4745/4885LMNA 4566/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 KDM4E 4538/4885MAPT 4783/4885LMNA 4589/4885

“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.