SCHEMBL15828698

SCHEMBL15828698

CCCNC(=O)c1cc(C(C)(C)C)ccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 7/20 0.50
ESRRB O95718 3/20 0.50
NR5A2 O00482 1/20 0.50
NR5A1 Q13285 1/20 0.50
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL15828696 0.88 ESRRG (0.50) ESRRGESRRBNR5A2NR5A1L3MBTL1
SCHEMBL25795350 0.88 ESRRG (0.46) ESRRGESRRBNR5A2NR5A1THRB
SCHEMBL18614004 0.85 HSP90AA1 (0.56) ESRRGESRRBNR5A2NR5A1POLB
SCHEMBL15828697 0.84 HTT (0.58) ESRRGESRRBNR5A2NR5A1ALDH1A1
SCHEMBL15248903 0.81 ESRRG (0.61) ESRRGESRRBNR5A2NR5A1POLB
SCHEMBL25800159 0.79 NR1H4 (0.47) ESRRGESRRBTHRBTDP1KMT2A
SCHEMBL4154655 0.78 POLB (0.49) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL14615882 0.77 RAB9A (0.68) ESRRGESRRBPOLBL3MBTL1KMT2A
SCHEMBL12529918 0.77 ESRRG (0.61) ESRRGESRRBL3MBTL1THRBALDH1A1
SCHEMBL26850808 0.76 ESRRG (0.57) ESRRGESRRBL3MBTL1THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 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 (5 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-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ESRRG 4790/4885ESRRB 4719/4885NR5A2 1674/4885
US-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ESRRG 4790/4885ESRRB 4719/4885NR5A2 1674/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ESRRG 4790/4885ESRRB 4719/4885NR5A2 1674/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP ESRRG 4769/4885ESRRB 4710/4885NR5A2 1630/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 ESRRG 4790/4885ESRRB 4719/4885NR5A2 1674/4885

“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.