SCHEMBL6214835

SCHEMBL6214835

C=CCc1c(OC)ccc(C=O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
POLB P06746 2/20 0.42
TUBB1 Q9H4B7 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 1/20 0.39
SRC P12931 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
SCHEMBL3333141 0.84 ERN1 (0.50) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL8502169 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBTUBB1CA1
SCHEMBL14112796 0.81 CA1 (0.46) ALDH1A1KDM4EPOLBTUBB1CA1
SCHEMBL13978664 0.81 ERN1 (0.50) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL1162416 0.80 KDM4E (0.42) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL6213995 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBTUBB1CA1
SCHEMBL4984877 0.80 TLR2 (0.53) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL8908376 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDPPARGPPARD
SCHEMBL1396838 0.78 CA1 (0.50) ALDH1A1HPGDPPARGCA1CA2
SCHEMBL31474876 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256583-B1 Pyrimidine-4-one derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-10 EP disclosed
US-6747032-B2 DOUBLE ALPHA 2/5-HT 2C ANTAGONISTS USED TO TREAT DEPRESSION, IMPULSIVE BEHAVIOUR DISORDERS, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, COGNITIVE DISORDERS AND DISORDERS INVOLVING SEXUAL FUNCTION, SLEEP AND EATING LES LABORATOIRES SERVIER (FR) 2004-06-08 US disclosed
US-20030087916-A1 Pyrimidin-4-one compounds LES LABORATOIRES SERVIER (FR) 2003-05-08 US disclosed
EP-1256583-A1 Pyrimidine-4-one derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-11-13 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 (1 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-20030087916-A1 Pyrimidin-4-one compounds HTR2C, HTR1A, HTR4 ALDH1A1 1216/4885KDM4E 3635/4885HPGD 642/4885

“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.