SCHEMBL9965045

SCHEMBL9965045

CCCc1cc(C)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
GLS O94925 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
TDP2 O95551 1/20 0.34
ABL1 P00519 1/20 0.34

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
SCHEMBL2631521 0.88 BCHE (0.46) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL28136861 0.84 KCNH2 (0.44) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL256103 0.82
SCHEMBL292212 0.81 BCHE (0.47) BCHEPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL21894060 0.81 BCHE (0.47) BCHEPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL964527 0.81 BCHE (0.51) BCHEPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL15948532 0.79 BCHE (0.42) BCHEPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL2264189 0.78 ALDH1A1 (0.48) BCHEPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL23401592 0.77 POLB (0.40) BCHEPOLBALDH1A1LMNANOS3
SCHEMBL7278528 0.77 NOS2 (0.41) POLBLMNANOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed
WO-2019025467-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2019-02-07 WO disclosed
US-8362073-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-01-29 US disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 US disclosed
US-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-06-23 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-20110152290-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG BCHE 4680/4885POLB 4747/4885ALDH1A1 2149/4885
US-11180474-B2 Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors TLR9, TLR7, TLR8 BCHE 4783/4885POLB 1803/4885ALDH1A1 3767/4885
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E BCHE 773/4885POLB 3974/4885ALDH1A1 3977/4885

“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.