SCHEMBL677773

SCHEMBL677773

O=C(O)C=C1c2ccccc2C=Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BCHE P06276 1/20 0.42
POLB P06746 1/20 0.42
PTPRC P08575 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
IDO1 P14902 1/20 0.42
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42

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
SCHEMBL29454416 1.00 MEN1 (0.42) MEN1LMNAKMT2AKDM4EALOX15
SCHEMBL11115874 0.85 S100A4 (0.38) ALDH1A1IDO1TP53
SCHEMBL11115938 0.85 HSD17B3 (0.38) MEN1LMNAKMT2AALOX15ALDH1A1
SCHEMBL11115877 0.85 S100A4 (0.38) ALDH1A1IDO1TP53
SCHEMBL11116282 0.85 TRPA1 (0.46) MEN1KMT2AKDM4EMAPTTRPA1
SCHEMBL11115316 0.85 HSD17B3 (0.38) MEN1LMNAKMT2AALOX15ALDH1A1
SCHEMBL11114767 0.85 TRPA1 (0.46) MEN1KMT2AKDM4EMAPTTRPA1
SCHEMBL11118131 0.85 S100A4 (0.38) ALDH1A1IDO1TP53
SCHEMBL11116115 0.84 TRPA1 (0.40) MEN1LMNAKMT2AKDM4EALOX15
SCHEMBL11111901 0.84 TRPA1 (0.40) MEN1LMNAKMT2AKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-8278329-B2 Antagonizing N-type calcium channels; use as analgesic, neurodegenerative diseases, brain injury, bronchial asthma, unstable angina and irritable colitis, drug withdrawal symptoms; t-butyl 2-[4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-piperidinyl]-2-oxoethylcarbamate for example AJINOMOTO CO., INC. (JP) 2012-10-02 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20110281829-A1 NOVEL COMPOSITION IPINTL, LLC (US) 2011-11-17 US disclosed
US-7713957-B2 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2010-05-11 US disclosed
US-7462630-B2 Diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2008-12-09 US disclosed
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-03-06 US disclosed
US-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist AJINOMOTO CO., INC. (JP) 2005-01-13 US disclosed
EP-1481673-A1 MEDICINAL COMPOSITIONS CONTAINING GABAPENTIN OR PREGABALIN AND N-TYPE CALCIUM CHANNEL ANTAGONIST Ajinomoto Co., Inc. (JP) 2004-12-01 EP disclosed
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives AJINOMOTO CO., INC. (JP) 2004-08-26 US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 EP disclosed
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 EP disclosed
EP-0136893-B1 Benzo[a]phenothiazines and hydro-derivatives and pharmaceutical compositions containing them MERCK FROSST CANADA INC. (CA) 1989-08-16 EP disclosed
EP-0089759-B1 DIBENZOCYCLOHEPTENYLIDENE COMPOUNDS FOR USE IN MODULATING THE IMMUNE RESPONSE AMERICAN HOME PRODUCTS CORPORATION (US) 1986-04-09 EP disclosed
EP-0035903-B1 DIBENZOCYCLOHEPTENYLIDENES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS AMERICAN HOME PRODUCTS CORPORATION (US) 1984-10-17 EP disclosed
EP-0089759-A1 Dibenzocycloheptenylidene compounds for use in modulating the immune response AMERICAN HOME PRODUCTS CORPORATION (US) 1983-09-28 EP disclosed
US-4376124-A Method for modulating the immune response with dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1983-03-08 US disclosed
WO-1981002519-A1 METHOD FOR TREATING INFLAMMATION AMERICAN HOME PROD (US) 1981-09-17 WO disclosed
EP-0035903-A1 Dibenzocycloheptenylidenes and their use in pharmaceutical compositions AMERICAN HOME PRODUCTS CORPORATION (US) 1981-09-16 EP disclosed
US-4267192-A BY ADMINISTERING AN UNSATURATED DIBENZOCYCLOHEPTENE ACID OR ESTER COMPOUND AMERICAN HOME PRODUCTS CORPORATION (US) 1981-05-12 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-20050009814-A1 Pharmaceutical composition containing gabapentin or pregabalin and N-type calcium channel antagonist CACNA1B, CACNA1G, CACNA1C MEN1 2573/4885LMNA 1363/4885KMT2A 4191/4885
US-20040167118-A1 Novel diarylalkene derivatives and novel diarylalkane derivatives CACNA1E, CACNA1H, CACNA1D MEN1 2030/4885LMNA 1902/4885KMT2A 1415/4885
US-20080058311-A1 NOVEL DIARYLALKENE DERIVATIVES AND NOVEL DIARYLALKANE DERIVATIVES CACNA1E, CACNA1D, CACNA1H MEN1 2266/4885LMNA 1915/4885KMT2A 1683/4885

“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.