SCHEMBL544758

SCHEMBL544758

CC(=O)Oc1cccc(O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.61
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 5/20 0.48
ESR1 P03372 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48
TSHR P16473 1/20 0.48
GGT1 P19440 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
BLM P54132 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 1/20 0.46
TRPA1 O75762 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL544041 0.87 ACHE (0.69) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL1458762 0.83 HSD17B10 (0.56) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL5145536 0.83 ACHE (0.44) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL31229899 0.82 ACHE (0.62) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL742810 0.82 ACHE (0.62) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL7538049 0.82 PIM1 (0.53) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL361220 0.81 PTGS2 (0.59) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL907658 0.80 ACHE (0.61) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL544172 0.80 ACHE (0.61) ACHEMAPK1KDM4EHSD17B10ESR1
SCHEMBL10808312 0.80 MAPK1 (0.62) ACHEMAPK1KDM4EHSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 EP disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed
WO-1998018804-A1 FUNCTIONALIZED-PHENOXY PHOSPHAZENES AND USE OF SAME AS A LUBRICANT THE DOW CHEMICAL COMPANY (US) 1998-05-07 WO disclosed
US-4769461-A Quinolinyl benzene hydroxamic acids as anti-inflammatory/antiallergic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-06 US disclosed
US-4259464-A CURING AGENTS, EMULSIFIERS, DEMULSIFIERS, DETERGENTS, BACTERICIDES PETROLITE CORPORATION (US) 1981-03-31 US disclosed
US-4098717-A WATER IN OIL EMULSIONS PETROLITE CORPORATION (US) 1978-07-04 US disclosed
US-4032514-A THIOALKYLATED OR AMINOALKYLATED, INFUSIBLE PETROLITE CORPORATION (US) 1977-06-28 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 ACHE 741/4885MAPK1 3603/4885KDM4E 227/4885

“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.