SCHEMBL278656

SCHEMBL278656

O=C(Cl)c1cccc(COCl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 17/20 0.50
TP53 P04637 3/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL2133327 0.84 MRGPRX4 (0.49) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL13685883 0.82 TMEM97 (0.53) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL4572223 0.80 GLRA1 (0.41) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL4950108 0.80 ALDH1A1 (0.48) MRGPRX4
SCHEMBL10036558 0.80 GLRA1 (0.41) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL39676 0.79 TSHR (0.47) MRGPRX4
SCHEMBL16240333 0.79 PRSS1 (0.55) TP53SMN1; SMN2RAB9ANPC1XBP1
SCHEMBL29472003 0.79 TSHR (0.47) MRGPRX4
SCHEMBL18412078 0.77 ALDH1A1 (0.46) MRGPRX4TP53NFKB1NFKB2RELA
SCHEMBL9929337 0.77 ALDH1A1 (0.46) MRGPRX4TP53NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120241373-A1 COMPOSITE MEMBRANES AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-09-27 US disclosed
US-20120012527-A1 COMPOSITE MEMBRANE WITH MULTI-LAYERED ACTIVE LAYER INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-01-19 US disclosed
US-8063238-B2 Diamine compound having phosphorylcholine group, polymer thereof, and process for producing the polymer TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-11-22 US disclosed
US-20100239788-A1 OPTICAL FILM, RETARDATION PLATE, ELLIPTICA POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-20100216899-A1 POLYAMIDE MEMBRANES WITH FLUOROALCOHOL FUNCTIONALITY INTERNATIONAL BUSINESS MACHINES CORPORATION 2010-08-26 US disclosed
WO-2010096563-A1 POLYAMIDE MEMBRANES WITH FLUOROALCOHOL FUNCTIONALITY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-26 WO disclosed
WO-2010096565-A1 INTERFACIAL POLYMERIZATION METHODS FOR MAKING FLUOROALCOHOL-CONTAINING POLYAMIDES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-26 WO disclosed
US-20100216967-A1 INTERFACIAL POLYMERIZATION METHODS FOR MAKING FLUOROALCOHOL-CONTAINING POLYAMIDES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-26 US disclosed
US-20100208180-A1 Negative Birefringement Polyester Films For LCD AKRON POLYMER SYSTEMS INC. 2010-08-19 US disclosed
US-20100036081-A1 Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-02-11 US disclosed
US-7351773-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-04-01 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 (2 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-20100036081-A1 Diamine Compound Having Phosphorylcholine Group, Polymer Thereof, and Process for Producing the Polymer PHOSPHO1, PCTP, PDAP1 MRGPRX4 2465/4885TP53 4662/4885NFKB1 4789/4885
US-20100239788-A1 OPTICAL FILM, RETARDATION PLATE, ELLIPTICA POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE AND COMPOUND PYM1, CCND2, CCNB2 MRGPRX4 3706/4885TP53 2833/4885NFKB1 2180/4885

“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.