SCHEMBL2833469

SCHEMBL2833469

COc1ccc(-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP3 P42574 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
ABL1 P00519 3/20 0.53
ABCB1 P08183 3/20 0.53
BCR P11274 3/20 0.53
ESR2 Q92731 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL3607576 0.83 NPC1 (0.64) NPC1RAB9ATP53MAPK1CASP3
SCHEMBL920933 0.83 ABL1 (0.71) NPC1RAB9ATP53MAPK1CASP3
SCHEMBL3743494 0.83 ABL1 (0.71) NPC1RAB9ATP53MAPK1CASP3
SCHEMBL30979899 0.81 ABL1 (0.63) MAPK1SMN1; SMN2ABL1ABCB1BCR
SCHEMBL1514434 0.81 ABL1 (0.63) MAPK1SMN1; SMN2ABL1ABCB1BCR
SCHEMBL6733562 0.80 CA1 (0.79) NPC1RAB9ATP53MAPK1CASP3
SCHEMBL9151672 0.80 CA1 (0.79) NPC1RAB9ATP53MAPK1CASP3
SCHEMBL197522 0.80 CA1 (0.79) NPC1RAB9ATP53MAPK1CASP3
SCHEMBL12562821 0.80 SLC6A4 (0.45) ESR2CA12CA1CA9HSD17B1
SCHEMBL21589900 0.79 ABL1 (0.50) NPC1RAB9ATP53MAPK1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324596-A Synthesis method of biaryl compound 新疆大学 2024-07-12 CN disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 US disclosed
US-20100185019-A1 CATALYST COMPOSITION AND PROCESS FOR PRODUCING CROSS-COUPLED COMPOUND USING SAME TOSOH FINECHEM CORPORATION (JP) 2010-07-22 US disclosed
EP-2168680-A1 CATALYST COMPOSITION AND METHOD FOR PRODUCING CROSS-COUPLING COMPOUND USING THE SAME Kyoto University (JP) 2010-03-31 EP disclosed
US-7501510-B2 Thiourea compositions and uses thereof THE UNIVERSITY OF HONG KONG (CN) 2009-03-10 US disclosed
US-7501510-B2 Thiourea compositions and uses thereof THE UNIVERSITY OF HONG KONG (CN) 2009-03-10 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-20100185019-A1 CATALYST COMPOSITION AND PROCESS FOR PRODUCING CROSS-COUPLED COMPOUND USING SAME PYM1, CHRM2, CHRM1 NPC1 3847/4885RAB9A 1566/4885TP53 2796/4885

“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.