SCHEMBL4426841

SCHEMBL4426841

ClCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.67
LTA4H P09960 4/20 0.50
IDH1 O75874 1/20 0.48
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
LMNA P02545 1/20 0.46
SLC22A2 O15244 1/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2C9 P11712 1/20 0.41
HNF4A P41235 1/20 0.41
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL24715430 1.00 CALM1 (0.67) CALM1LTA4HIDH1PLA2G10PLA2G2A
(Chloromethyl)Benzene SCHEMBL7413 0.88
(Chloromethyl)Benzene SCHEMBL1331085 0.88
(Chloromethyl)Benzene SCHEMBL29919724 0.88
SCHEMBL5885169 0.88 CYP3A4 (0.47) CALM1LTA4HIDH1LMNACA1
SCHEMBL11323181 0.88 CYP3A4 (0.47) CALM1LTA4HIDH1LMNACA1
(Chloromethyl)Benzene SCHEMBL6422666 0.88 CALM1 (0.53) CALM1ALDH1A1IDO1
(Chloromethyl)Benzene SCHEMBL1616642 0.88
SCHEMBL21317609 0.88 CALM1 (0.53) CALM1ALDH1A1IDO1
(Chloromethyl)Benzene SCHEMBL29794364 0.88

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5028581-A Odorless multi-valent metal modified products of salicyclic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-07-02 US disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0420941-A1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES. ALLIED SIGNAL INC (US) 1991-04-10 EP disclosed
EP-0361040-A2 Odorless multi-valent metal modified products of salicylic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-04 EP disclosed
WO-1989012623-A1 PROCESS FOR PRODUCTION OF AROMATIC ALDOXIMES ALLIED-SIGNAL INC. (US) 1989-12-28 WO disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed
US-4104244-A POLY(ARYLENE ALKYLENES) OR HYDROPEROXIDES THEREOF CHUCHIN ALEXANDR EVGENIEVICH 1978-08-01 US disclosed
US-4001173-A IN POLYARYLENEALKYLENES- OR THE HYDROPEROXIDES THEREOF CHUCHIN ALEXANDR EVGENIEVICH 1977-01-04 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 (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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 CALM1 2055/4885LTA4H 1800/4885IDH1 384/4885
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 CALM1 3904/4885LTA4H 174/4885IDH1 4033/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 CALM1 2430/4885LTA4H 1646/4885IDH1 387/4885

“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.