SCHEMBL756454

SCHEMBL756454

Cc1cc2cc3c(C)c(CN)c(=O)oc3c(C)c2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
HTR2C P28335 1/20 0.54
ADORA2A P29274 1/20 0.54
GPR35 Q9HC97 1/20 0.39
POLB P06746 6/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
CTDSP1 Q9GZU7 3/20 0.36
KMT2A Q03164 2/20 0.36
NFKB1 P19838 2/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36

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
Hydrochloric Acid SCHEMBL6991180 0.99 ALDH1A1 (0.52) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL7632180 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL10588182 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL7989481 0.85 KDM4E (0.54) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL11408643 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL8504877 0.83 KDM4E (0.46) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL6991692 0.83 MAPK1 (0.46) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL5011938 0.82 ALDH1A1 (0.65) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4
SCHEMBL6990143 0.80 POLB (0.55) ALDH1A1MAPK1POLBMAPTTP53
SCHEMBL8374018 0.79 MAOA (0.42) ALDH1A1MAPK1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052544-A1 ENUCLEATION OF CELLS WITH PSORALENS NORTHWESTERN UNIVERSITY 2012-03-01 US claimed
EP-3799868-A1 PULSE PHOTODYNAMIC TREATMENT OF PHOTODAMAGED SKIN Galderma Research & Development (FR) 2021-04-07 EP disclosed
EP-3082787-B1 PULSE PHOTODYNAMIC TREATMENT OF PHOTODAMAGED SKIN GALDERMA RES & DEV (FR) 2020-11-25 EP disclosed
US-10716855-B2 Pulse photodynamic treatment of photodamaged skin GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-07-21 US disclosed
EP-3082788-B1 PULSE PHOTODYNAMIC TREATMENT OF ACNE GALDERMA RES & DEV (FR) 2018-11-21 EP disclosed
EP-1176986-B1 DIFFERENTIATION OF MONOCYTES INTO FUNCTIONAL DENDRITIC CELLS UNIV YALE (US) 2018-07-04 EP disclosed
EP-3082787-A1 PULSE PHOTODYNAMIC TREATMENT OF PHOTODAMAGED SKIN Galderma Research & Development (FR) 2016-10-26 EP disclosed
EP-3082788-A1 PULSE PHOTODYNAMIC TREATMENT OF ACNE Galderma Research & Development (FR) 2016-10-26 EP disclosed
US-20160287701-A1 PULSE PHOTODYNAMIC TREATMENT OF PHOTODAMAGED SKIN GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-10-06 US disclosed
WO-2015091037-A1 PULSE PHOTODYNAMIC TREATMENT OF PHOTODAMAGED SKIN GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-06-25 WO disclosed
US-6455286-B1 MIXING PSORALEN COMPOUND OF DEFINED STRUCTURE WITH BIOLOGICAL COMPOSITION SUCH AS BLOOD OR PLATELETS, THEN PHOTOACTIVATING COMPOUND TO DEACTIVATE PATHOGEN CERUS CORPORATION 2002-09-24 US disclosed
EP-1176986-A1 DIFFERENTIATION OF MONOCYTES INTO FUNCTIONAL DENDRITIC CELLS Edelson, Richard L. (US) 2002-02-06 EP disclosed
US-20010053355-A1 Methods for inducing the differentiation of monocytes into functional dendritic cells YALE UNIVERSITY 2001-12-20 US disclosed
US-6242188-B1 Sample processing to release nucleic acids for direct detection APPLIED GENE TECHNOLOGIES, INC. 2001-06-05 US disclosed
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 EP disclosed
WO-2000062818-A1 DIFFERENTIATION OF MONOCYTES INTO FUNCTIONAL DENDRITIC CELLS EDELSON RICHARD LESLIE (US) 2000-10-26 WO disclosed
US-6133460-A HAVE PRIMARY AMINO SUBSTITUTIONS ON THE 3-, 4-, 5-, AND 8-POSITIONS OF THE PSORALEN WHICH PERMIT BINDING TO NUCLEIC ACID OF PATHOGENS; CONDITIONS THAT PHOTOACTIVATE THESE PSORALENS RESULT IN INACTIVATION OF PATHOGENS WHICH CONTAIN NUCLEIC ACID CERUS CORPORATION (US) 2000-10-17 US disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 WO disclosed
WO-1994020090-A1 DECONTAMINATING CLINICAL SAMPLES STERITECH, INC. (US) 1994-09-15 WO disclosed