SCHEMBL334577

SCHEMBL334577

COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.70
PTGS2 P35354 2/20 0.60
PTGS1 P23219 1/20 0.60
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 0.59
VCP P55072 3/20 0.57
CYP19A1 P11511 2/20 0.54
TLR4 O00206 3/20 0.54
TLR2 O60603 3/20 0.54
EGFR P00533 3/20 0.53
GALR2 O43603 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
SYK P43405 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ESR1 P03372 2/20 0.50

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
SCHEMBL334578 1.00 FBP1 (0.70) FBP1PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL15514658 0.90 FBP1 (0.62) FBP1PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL15503187 0.90 FBP1 (0.62) FBP1PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL23684551 0.88 FBP1 (0.60) FBP1PTGS2PTGS1CYP1A1CYP1B1
SCHEMBL31287227 0.82 FBP1 (1.00) FBP1VCPTLR4TLR2
SCHEMBL792987 0.82 FBP1 (1.00) FBP1VCPTLR4TLR2
SCHEMBL8765211 0.82 FBP1 (1.00) FBP1VCPTLR4TLR2
SCHEMBL278627 0.82 FBP1 (1.00) FBP1VCPTLR4TLR2
SCHEMBL491095 0.81 FBP1 (1.00) FBP1VCPTLR4TLR2EGFR
SCHEMBL491094 0.81 FBP1 (1.00) FBP1VCPTLR4TLR2EGFR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108863804-A A kind of new preparation process of 3,5- dimethoxy-beta-nitrostyrene 上海华堇生物技术有限责任公司 2018-11-23 CN claimed
CN-108863804-A A kind of new preparation process of 3,5- dimethoxy-beta-nitrostyrene 上海华堇生物技术有限责任公司 2018-11-23 CN disclosed
CN-108863804-A A kind of new preparation process of 3,5- dimethoxy-beta-nitrostyrene 上海华堇生物技术有限责任公司 2018-11-23 CN disclosed
US-8097656-B2 Nitrogenated trans-stilbene analogs, method for the obtention and medical applications thereof Dominion Pharmakine S.L (ES) 2012-01-17 US disclosed
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2011-03-10 US disclosed
US-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof UNIVERSIDAD DEL PAIS VASCO (ES) 2009-12-03 US disclosed
EP-1379523-B1 1,2,3,4-TETRAHYDROISOQUINOLINES DERIVATIVES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-07-27 EP disclosed
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives VELKER JORG (DE) 2004-12-02 US disclosed
US-6815451-B2 1,2,3,4-Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-11-09 US disclosed
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-06-10 US disclosed
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
EP-0090516-B1 SUBSTITUTED HEXAHYDROPYRROLO(1,2-A)-QUINOLINE, HEXAHYDRO-1H-PYRIDO(1,2-A)-QUINOLINE, HEXAHYDROBENZO(3)INDENE AND OCTAHYDROPHENANTHRENE CNS AGENTS PFIZER INC. (US) 1988-07-06 EP disclosed
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
EP-0090526-B1 SUBSTITUTED DODECAHYDROTRIPHENYLENES, DECAHYDRO-1H-CYCLOPENTA(1)PHENANTHRENES, DECAHYDRO-1H-PYRIDO(1,2-F)PHENANTHRIDINES AND DECAHYDROPYRROLO(1,2-F)PHENANTHRIDINES AS CNS AGENTS PFIZER INC. (US) 1986-11-26 EP disclosed
US-4576964-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1986-03-18 US disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US disclosed
EP-0090526-A1 Substituted dodecahydrotriphenylenes, decahydro-1H-cyclopenta(1)phenanthrenes, decahydro-1H-pyrido(1,2-f)phenanthridines and decahydropyrrolo(1,2-f)phenanthridines as CNS agents PFIZER INC. (US) 1983-10-05 EP disclosed
EP-0090516-A1 Substituted hexahydropyrrolo(1,2-a)-quinoline, hexahydro-1H-pyrido(1,2-a)-quinoline, hexahydrobenzo(3)indene and octahydrophenanthrene CNS agents PFIZER INC. (US) 1983-10-05 EP 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 (4 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-20090298905-A1 Nitrogenatd trans-stilbene analogs, method for the obtention and medical applications thereof TNNI3, TNNT2, INMT FBP1 1591/4885PTGS2 141/4885PTGS1 79/4885
US-20040242564-A1 1,2,3,4-tetrahydroisoquinolines derivatives ADRA2C, ADRA1D, ADRB3 FBP1 1952/4885PTGS2 356/4885PTGS1 282/4885
US-20110060038-A1 NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF TNNI3, TNNT2, NOS2 FBP1 1384/4885PTGS2 145/4885PTGS1 84/4885
US-20040110744-A1 1 2 3 4 Tetrahydroisoquinolines derivatives as urotensin II receptor antagonists UTS2R, NTSR2, NTSR1 FBP1 1699/4885PTGS2 180/4885PTGS1 249/4885

“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.