SCHEMBL3069349

SCHEMBL3069349

C#Cc1ccc(CCCC[CH2])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
FFAR1 O14842 2/20 0.35
MAOB P27338 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL5179689 0.79 HDAC8 (0.43) FFAR1MAOBHDAC8CA12CA1
SCHEMBL1119502 0.79 TSHR (0.58) HSD17B10TSHRMAOBCA12CA1
SCHEMBL20977206 0.79 CA2 (0.47) HSD17B10TSHRFFAR1THRATHRB
SCHEMBL170113 0.79 HSD17B10 (0.58) HSD17B10TSHRTHRATHRBCA2
SCHEMBL947879 0.78 HSD17B10 (0.61) HSD17B10TSHRTHRATHRBESR1
SCHEMBL2773891 0.78 HSD17B10 (0.61) HSD17B10TSHRTHRATHRBESR1
SCHEMBL31415597 0.78 HSD17B10 (0.61) HSD17B10TSHRTHRATHRBESR1
SCHEMBL177025 0.78 HSD17B10 (0.61) HSD17B10TSHRTHRATHRBESR1
SCHEMBL4745509 0.78 HSD17B10 (0.61) HSD17B10TSHRTHRATHRBESR1
SCHEMBL948801 0.78 HSD17B10 (0.61) HSD17B10TSHRTHRATHRBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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 (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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 HSD17B10 537/4885TSHR 793/4885FFAR1 1810/4885

“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.