SCHEMBL2870972

SCHEMBL2870972

C#Cc1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CTRC Q99895 1/20 0.39
ALOX5 P09917 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL9862093 0.86 HSPA5 (0.40)
SCHEMBL26987968 0.86 PYCR1 (0.39) HTR2ACTRCKEAP1
SCHEMBL9569109 0.84 HTR2A (0.40) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL722161 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1CTRC
SCHEMBL1252940 0.78 TSHR (0.48) CALM1HTR2ABCL2BCL2L1HPGD
SCHEMBL972711 0.75 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL9569110 0.75 HTR2A (0.42) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL5249351 0.75 HTR2A (0.42) CALM1HTR2ABCL2BCL2L1ALOX5
SCHEMBL4170188 0.75 TRPA1 (0.36) TRPA1ALDH1A1TSHR
SCHEMBL702842 0.74 LTA4H (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304167-A Aryl vinyl cyclic high-valence iodine compound and preparation method and application thereof 广东药科大学 2023-12-29 CN disclosed
CN-114853556-B New synthesis method of 5H-dibenzo [ a, d ] cycloheptene skeleton 绍兴文理学院 2023-08-29 CN disclosed
CN-114853556-A Novel synthesis method of 5H-dibenzo [ a, d ] cycloheptene skeleton 绍兴文理学院 2022-08-05 CN disclosed
US-7847074-B2 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-07 US disclosed
US-7847074-B2 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-07 US disclosed
EP-1928852-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF Boehringer Ingelheim International GmbH (DE) 2008-06-11 EP disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
US-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 US disclosed
WO-2007031548-A2 PROCESSES FOR PREPARING OF GLUCOPYRANOSYL-SUBSTITUTED (ETHYNYL-BENZYL)-BENZENE DERIVATIVES AND INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-22 WO 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-20070073046-A1 Processes for preparing of glucopyranosyl-substituted (ethynyl-benzyl)-benzene derivatives and intermediates thereof UGGT1, B3GAT3, UGCG CALM1 4383/4885HTR2A 3643/4885BCL2 2274/4885

“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.