SCHEMBL6581595

SCHEMBL6581595

ClB(Cl)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.45
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41
TRPA1 O75762 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 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
SCHEMBL555907 0.75 CALM1 (0.50) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL8365373 0.72 CA1 (0.58) CALM1ALDH1A1LOXL2SIGMAR1MAOB
SCHEMBL12400987 0.71 TP53 (0.48) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL5953228 0.71 TSHR (0.48) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL219668 0.71 CA1 (0.56) CALM1TSHRALDH1A1LOXL2IDO1
Benzylamine SCHEMBL2473045 0.69 LOXL2 (0.78) CALM1TSHRLOXL2SIGMAR1MAOB
SCHEMBL13864885 0.69 CALM1 (0.43) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL24101775 0.67 LOXL2 (0.43) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL21063908 0.67 TSHR (0.43) CALM1TSHRALDH1A1LOXL2IDO1
SCHEMBL23553935 0.67 TP53 (0.50) CALM1TSHRALDH1A1LOXL2IDO1

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-117866285-A Full recovery method of epoxy resin waste 四川大学 2024-04-12 CN disclosed
EP-1414834-A2 METHOD FOR PREPARATION OF BORATABENZENE DERIVATIVES Equistar Chemicals, LP (US) 2004-05-06 EP disclosed
WO-2002057280-A2 METHOD FOR PREPARATION OF BORATABENZENE DERIVATIVES EQUISTAR CHEMICALS, LP (US) 2002-07-25 WO disclosed
US-20020095048-A1 METHOD FOR PREPARATION OF BORATABENZENE DERIVATIVES EQUISTAR CHEMICALS, L.P. 2002-07-18 US disclosed
US-6410764-B1 HYDROGENATING A BORANAPHTHALENE COMPOUND, SALT FORMATION EQUISTAR CHEMICALS, L.P. 2002-06-25 US disclosed
EP-0044835-A1 CATALYSED ALTERNATING COPOLYMERISATION AND PRODUCT NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-02-03 EP disclosed
WO-1981001289-A1 CATALYSED ALTERNATING COPOLYMERISATION AND PRODUCT BAMFORD C 1981-05-14 WO disclosed
US-4121032-A Process for preparing alternating copolymer of conjugated vinyl compound and olefinic unsaturated compound with oxygen and boron compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-10-17 US disclosed
US-3989882-A Process for preparing an alternating copolymer of a conjugated vinyl compound and an olefinic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-02 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 (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-20020095048-A1 METHOD FOR PREPARATION OF BORATABENZENE DERIVATIVES BRSK1, BRPF1, TBL1XR1 CALM1 4276/4885TSHR 1797/4885ALDH1A1 2297/4885

“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.