SCHEMBL249883

SCHEMBL249883

CCC(C)c1cc(Br)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
RORC P51449 1/20 0.36
AR P10275 1/20 0.35
MAPT P10636 4/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL10407969 0.85 GAA (0.36) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL22303989 0.85 ALDH1A1 (0.41) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL249358 0.80 ALDH1A1 (0.43) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL18713788 0.80 TSHR (0.41) HPGDALDH1A1ALOX15TSHRRORC
SCHEMBL5377888 0.80 ALDH1A1 (0.47) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL283021 0.79 GABRA1 (0.46) ALDH1A1GAAALOX15TSHRKDM4E
SCHEMBL1861859 0.78 RORC (0.58) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL11417210 0.78 ALOX15 (0.46) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL11514222 0.78 ALDH1A1 (0.59) HPGDALDH1A1GAAHSD17B10USP2
SCHEMBL2015924 0.78 KDM4E (0.39) ALDH1A1GAAALOX15TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-8173849-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
CN-101687746-A therapeutic compounds PHARMACOFORE INC 2010-03-31 CN disclosed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO disclosed
US-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 HPGD 365/4885ALDH1A1 112/4885GAA 750/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 HPGD 365/4885ALDH1A1 112/4885GAA 750/4885
US-20120196939-A1 Therapeutic Compounds OPRM1, OPRD1, SCN1B HPGD 566/4885ALDH1A1 257/4885GAA 1721/4885

“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.