SCHEMBL160525

SCHEMBL160525

CCC(C)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.36
HPGD P15428 2/20 0.36
CHRM2 P08172 1/20 0.36
RIPK1 Q13546 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL160524 1.00 MAOB (0.41) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL16774819 0.84 ALDH1A1 (0.39) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL1993963 0.82 ALDH1A1 (0.40) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL28468444 0.82 RAB9A (0.42) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL27980365 0.81 ALDH1A1 (0.37) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL3933026 0.81 MAOB (0.45) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL27946214 0.81 MAOB (0.45) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL105226 0.80
SCHEMBL28427145 0.80 MAOB (0.39) MAOBRAB9ANPC1ALDH1A1KDM4E
SCHEMBL19185911 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP claimed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO claimed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 US disclosed
EP-2612376-B1 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES FLEXTERRA INC (US) 2018-11-21 EP disclosed
EP-2704569-A1 CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS Semiosbio Technologies Inc. (CA) 2014-03-12 EP disclosed
US-8598575-B2 Semiconducting compounds and related compositions and devices POLYERA CORPORATION (US) 2013-12-03 US disclosed
EP-2612376-A2 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES Polyera Corporation (US) 2013-07-10 EP disclosed
US-20130168659-A1 Semiconducting Compounds and Related Compositions and Devices POLYERA CORPORATION (US) 2013-07-04 US disclosed
WO-2012129702-A1 CARBONYL CONTAINING COMPOUNDS FOR CONTROLLING AND REPELLING CIMICIDAE POPULATIONS SEMIOSBIO TECHNOLOGIES INC. (CA) 2012-10-04 WO disclosed
WO-2012030662-A2 SEMICONDUCTING COMPOUNDS AND RELATED COMPOSITIONS AND DEVICES POLYERA CORPORATION (US) 2012-03-08 WO disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP disclosed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 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 (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-20130168659-A1 Semiconducting Compounds and Related Compositions and Devices NES, TST, SLC19A2 MAOB 999/4885RAB9A 3260/4885NPC1 2814/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A MAOB 251/4885RAB9A 927/4885NPC1 499/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAOB 2038/4885RAB9A 2893/4885NPC1 4797/4885

“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.