SCHEMBL658430

SCHEMBL658430

CCc1ccc(CCC(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TDP1 Q9NUW8 2/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NR4A2 P43354 1/20 0.52
FFAR1 O14842 2/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KEAP1 Q14145 1/20 0.48
GPR84 Q9NQS5 1/20 0.48
F2 P00734 1/20 0.47
F10 P00742 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
SCHEMBL12065203 0.95 NPC1 (0.68) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL10017467 0.90 L3MBTL1 (0.59) NPC1RAB9ATDP1CASP3SENP8
Alcohol SCHEMBL11308928 0.87 NPC1 (0.67) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL15524969 0.86 TDP1 (0.77) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL28251466 0.86 TDP1 (0.77) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL30572 0.86 TDP1 (0.77) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL9121060 0.85 L3MBTL1 (0.62) NPC1RAB9ATDP1CASP3SENP8
Hydrochloric Acid SCHEMBL27556767 0.84 TDP1 (0.74) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL28013318 0.84 L3MBTL1 (0.72) NPC1RAB9ATDP1CASP3SENP8
SCHEMBL1985867 0.83 NPC1 (0.62) NPC1RAB9ATDP1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB NPC1 2687/4885RAB9A 2902/4885TDP1 992/4885

“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.