SCHEMBL6851983

SCHEMBL6851983

CC#Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 6/20 0.47
PLAU P00749 1/20 0.46
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP7 P55210 1/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR35 Q9HC97 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
Ammonia Solution, Strong SCHEMBL27781078 0.98 HSD17B10 (0.48) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL12286918 0.87 HSD17B10 (0.52) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL5671061 0.83 HSD17B10 (0.54) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL10724396 0.82 HSD17B10 (0.47) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL13597747 0.81 HSD17B10 (0.47) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL11444322 0.80 GPR35 (0.47) HSD17B10TDP1PLAUALDH1A1TSHR
SCHEMBL9759856 0.80 HSD17B10 (0.45) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL13982720 0.80 ALDH1A1 (0.46) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL11229561 0.79 HSD17B10 (0.46) HSD17B10TDP1PLAUALDH1A1L3MBTL1
SCHEMBL2910616 0.79 HSD17B10 (0.46) HSD17B10TDP1PLAUALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3688124-B1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-25 EP claimed
US-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF XIAMEN UNIVERSITY (CN) 2018-03-08 US disclosed
US-9663454-B2 3-aryl propiolonitrile compounds for thiol labeling UNIVERSITE DE STRASBOURG (FR) 2017-05-30 US disclosed
US-9580395-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2017-02-28 US disclosed
US-9580395-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2017-02-28 US disclosed
US-20150031688-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS NANOPHARMACEUTICALS, LLC 2015-01-29 US disclosed
US-20150031688-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS NANOPHARMACEUTICALS, LLC 2015-01-29 US disclosed
US-8859539-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2014-10-14 US disclosed
US-8859539-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2014-10-14 US disclosed
US-20110105482-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2011-05-05 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-20150031688-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS TEK, THRA, TSHR HSD17B10 2753/4885TDP1 3490/4885PLAU 252/4885
US-20110105482-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS TEK, THRA, TSHR HSD17B10 2753/4885TDP1 3490/4885PLAU 252/4885
US-20180065908-A1 CHAIN MULTIYNE COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF SQLE, COASY, MCCC2 HSD17B10 509/4885TDP1 4493/4885PLAU 4162/4885

“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.