SCHEMBL6777641

SCHEMBL6777641

CCOC(=O)C=CCc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
MAPT P10636 4/20 0.47
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
GAA P10253 1/20 0.44
TTR P02766 1/20 0.43
DPP4 P27487 1/20 0.43
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
MDM2 Q00987 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL6777638 1.00 CCNC (0.48) CCNCCDK8MAPTF13A1TGM2
SCHEMBL8422669 0.86 GPR52 (0.51) CCNCCDK8MAPTCYP1A2CYP2A6
SCHEMBL8422670 0.86 GPR52 (0.51) CCNCCDK8MAPTCYP1A2CYP2A6
SCHEMBL14349796 0.85 KMT2A (0.45) CCNCCDK8MAPTCYP1A2CYP2A6
SCHEMBL6263496 0.82 MAPT (0.57) MAPTF13A1TGM2TGM1TTR
SCHEMBL6263498 0.82 MAPT (0.57) MAPTF13A1TGM2TGM1TTR
SCHEMBL933767 0.79 MAPT (0.51) MAPTF13A1TGM2TGM1TTR
SCHEMBL933766 0.79 MAPT (0.51) MAPTF13A1TGM2TGM1TTR
SCHEMBL6214767 0.79 TBXA2R (0.56) CYP1A2CYP2A6
SCHEMBL6214765 0.79 TBXA2R (0.56) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CCNC 487/4885CDK8 959/4885MAPT 4613/4885

“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.