SCHEMBL2099402

SCHEMBL2099402

OC[CH]C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TRPA1 O75762 5/20 0.39
HRH1 P35367 1/20 0.39
MAPK1 P28482 1/20 0.39
AOC3 Q16853 3/20 0.39
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL7279518 1.00 KDM4E (0.43) KDM4EALDH1A1LMNAL3MBTL1TRPA1
SCHEMBL27310163 0.79 LMNA (0.52) KDM4EALDH1A1LMNAL3MBTL1TRPA1
SCHEMBL11001287 0.77 LMNA (0.40) KDM4EALDH1A1LMNAL3MBTL1TRPA1
SCHEMBL11001286 0.77 LMNA (0.40) KDM4EALDH1A1LMNAL3MBTL1TRPA1
SCHEMBL1298318 0.77 LMNA (0.50) KDM4ELMNAL3MBTL1AOC3TSHR
SCHEMBL27418272 0.74 TRPA1 (0.57) KDM4EALDH1A1LMNATRPA1AOC3
SCHEMBL28189063 0.74 TRPA1 (0.38) KDM4ELMNAL3MBTL1TRPA1HRH1
SCHEMBL11572796 0.74 TRPA1 (0.41) KDM4ELMNAL3MBTL1TRPA1HRH1
SCHEMBL27658747 0.74 LMNA (0.42) KDM4EALDH1A1LMNAL3MBTL1AOC3
SCHEMBL9656453 0.74 LMNA (0.46) KDM4ELMNAL3MBTL1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
CN-1784402-A Imidazo and thiazolopyridines as JAK3 kinase inhibitors ASTRAZENECA AB (SE) 2006-06-07 CN claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
US-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US claimed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 WO claimed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
US-9062205-B2 Alkyl amine compounds for fluorescent labeling BLOOD CELL STORAGE, INC. (US) 2015-06-23 US disclosed
EP-1781675-B1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES INC (US) 2014-03-26 EP disclosed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
WO-2001083434-A2 P-(SULFONYL)-ARYL AND HETEROARYLS AMINES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO disclosed
WO-2001064958-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENECS, INC. (US) 2001-09-07 WO disclosed
WO-2001029041-A1 ALKYLAMINO SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029042-A1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
US-4956363-A 2-amino-4-morpholino-6-propyl-1,3,5-triazine U C B S.A. (BE) 1990-09-11 US disclosed
US-4956367-A COGNITION ACTIVATORS, ALZHEIMER*S DISEASE U C B S.A. (BE) 1990-09-11 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 3888/4885ALDH1A1 4716/4885LMNA 2189/4885
US-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 KDM4E 3749/4885ALDH1A1 223/4885LMNA 2689/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 4239/4885ALDH1A1 4742/4885LMNA 1738/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 KDM4E 3849/4885ALDH1A1 4724/4885LMNA 2320/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 KDM4E 4239/4885ALDH1A1 4742/4885LMNA 1738/4885

“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.