SCHEMBL3149977

SCHEMBL3149977

COCc1cccc(C(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.57
MAOA P21397 3/20 0.55
MRGPRX4 Q96LA9 4/20 0.54
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL6665880 0.87 MAOB (0.58) MAOBMAOAMRGPRX4TP53PKM
SCHEMBL20795336 0.87 MRGPRX4 (0.51) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL30628893 0.85 MRGPRX4 (0.67) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL565902 0.85 MRGPRX4 (0.67) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL7053494 0.84 MAOB (0.55) MAOBMAOAMRGPRX4
SCHEMBL2133327 0.84 MRGPRX4 (0.49) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL6667400 0.84 MAOB (0.55) MAOBMAOAMRGPRX4RAB9ASMN1; SMN2
SCHEMBL2824632 0.84 PARP1 (0.56) MAOBMRGPRX4TP53PKMNFKB1
SCHEMBL31276343 0.84 LOXL2 (0.70) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL1544193 0.84 LOXL2 (0.70) MRGPRX4RAB9ASMN1; SMN2

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
WO-2024008833-A1 PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY ZOUNEK ALEX (DE) 2024-01-11 WO disclosed
US-20180134025-A1 METAL-CLAD LAMINATE SHEET MANUFACTURING METHOD, AND METAL-CLAD LAMINATE SHEET USING THE SAME KURARAY CO., LTD. (JP) 2018-05-17 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20160212845-A1 THERMOPLASTIC LIQUID CRYSTAL POLYMER FILM, CIRCUIT BOARD, AND METHODS RESPECTIVELY FOR MANUFACTURING SAID FILM AND SAID CIRCUIT BOARD KURARAY CO., LTD. (JP) 2016-07-21 US disclosed
EP-1555257-B1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL IND CO (JP) 2010-01-20 EP disclosed
EP-1661877-B1 PROCESS FOR PRODUCING AROMATIC ALDEHYDE IHARA CHEMICAL IND CO (JP) 2009-05-13 EP disclosed
US-7342138-B2 Process for producing aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-03-11 US disclosed
US-20070293633-A1 Liquid crystalline polymer cpmposition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2007-12-20 US disclosed
US-20070293633-A1 Liquid crystalline polymer cpmposition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2007-12-20 US disclosed
US-7262316-B2 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-28 US disclosed
US-20070010620-A1 Polycarbonate resin composition and molded articles of the same LOTTE ADVANCED MATERIALS CO., LTD. (KR) 2007-01-11 US disclosed
US-20070004934-A1 Process for producing aromatic aldehyde IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-01-04 US disclosed
EP-1661877-A1 PROCESS FOR PRODUCING AROMATIC ALDEHYDE Ihara Chemical Industry Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 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 (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-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT MAOB 57/4885MAOA 82/4885MRGPRX4 2874/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 MAOB 3113/4885MAOA 2855/4885MRGPRX4 4382/4885
US-20070004934-A1 Process for producing aromatic aldehyde ALKBH3, AOX1, ALDH3A1 MAOB 54/4885MAOA 112/4885MRGPRX4 2314/4885

“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.