SCHEMBL184435

SCHEMBL184435

C1=COC(Cc2ccccc2)=CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
LTA4H P09960 1/20 0.33
TSHR P16473 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
IDH1 O75874 1/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7723121 0.84 CALM1 (0.58) CALM1LOXL2BCL2BCL2L1LTA4H
SCHEMBL14941759 0.72 CALM1 (0.55) CALM1LOXL2TDP1BCL2BCL2L1
SCHEMBL6249409 0.71 CALM1 (0.42) CALM1TDP1BCL2BCL2L1LTA4H
SCHEMBL2997577 0.69 CALM1 (0.41) CALM1TDP1BCL2BCL2L1TSHR
SCHEMBL6483541 0.67 TSHR (0.42) LOXL2TDP1TSHRALDH1A1NPC1
SCHEMBL5698082 0.67 CALM1 (0.42) CALM1TDP1BCL2BCL2L1TSHR
Diphenylmethane SCHEMBL3792579 0.66 CALM1 (1.00) CALM1LOXL2BCL2BCL2L1LTA4H
Diphenylmethane SCHEMBL4361124 0.66 CALM1 (1.00) CALM1LOXL2BCL2BCL2L1LTA4H
Diphenylmethane SCHEMBL14763944 0.66 CALM1 (1.00) CALM1LOXL2BCL2BCL2L1LTA4H
Diphenylmethane SCHEMBL1303 0.66 CALM1 (1.00) CALM1LOXL2BCL2BCL2L1LTA4H

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 1137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023036995-A1 ALKYNYLCARBINOLS WITH HIGH CYTOTOXICITY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-03-16 WO claimed
EP-3010906-B1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS AB SCIENCE (FR) 2019-06-12 EP claimed
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP claimed
US-9102601-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US claimed
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-21 US claimed
US-20150080386-A1 Compounds For The Treatment Of Proliferative Disorders SYNTA PHARMACEUTICALS CORP (US) 2015-03-19 US claimed
US-8785451-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-07-22 US claimed
US-8648071-B2 Hydrazonamide compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-02-11 US claimed
US-20130210821-A1 Methods for Treating Obesity ZAFGEN, INC. 2013-08-15 US claimed
US-8450500-B2 Pyrrole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-05-28 US claimed
US-20050004111-A1 Degenerative joints disease; osteoarthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US claimed
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2004-10-28 US claimed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 US claimed
WO-2004060883-A1 PYRIMIDINE-4,6-DICARBOXYLIC ACID DIAMIDES FOR USE AS SELECTIVE MMP 13 INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO claimed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO claimed
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-04-08 US claimed
US-6706715-B2 REVERSIBLE INHIBITORS OF THE BLOOD CLOTTING ENZYME FACTOR VIIA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-16 US claimed
WO-2003104221-A1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-18 WO claimed
EP-1369420-A1 Inhibitors of the GPib - vWF interaction Aventis Pharma Deutschland GmbH (DE) 2003-12-10 EP claimed
US-20030176439-A1 Urea derivatives with antiproteolytic activity AVENTIS PHARMA DUTSCHLAND GMBH 2003-09-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 CALM1 2373/4885LOXL2 2160/4885TDP1 86/4885
US-20150080386-A1 Compounds For The Treatment Of Proliferative Disorders HSP90AB1, HSPE1, HSPB1 CALM1 1108/4885LOXL2 3327/4885TDP1 993/4885
US-20130210821-A1 Methods for Treating Obesity LIPC, PNLIP, FABP4 CALM1 2362/4885LOXL2 1131/4885TDP1 3606/4885
US-20050004111-A1 Degenerative joints disease; osteoarthritis MMP13, ADAMTS13, DPYD CALM1 3632/4885LOXL2 1605/4885TDP1 174/4885
US-20150141378-A1 NITROXYL PROGENITOR COMPOUNDS AND METHODS OF USE HMOX2, NNMT, HMOX1 CALM1 2496/4885LOXL2 38/4885TDP1 897/4885
US-20040067980-A1 Inhibitors of the GPIb-vWF interaction, their preparation and use F13B, F11, F12 CALM1 4043/4885LOXL2 2856/4885TDP1 3209/4885
US-20030176439-A1 Urea derivatives with antiproteolytic activity F7, F11, F12 CALM1 4479/4885LOXL2 1328/4885TDP1 535/4885
US-20040214857-A1 Substituted benzimidazoles and imidazo-[4,5]-pyridines CDK4, CDS2, DDB1 CALM1 777/4885LOXL2 4541/4885TDP1 352/4885

“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.