SCHEMBL13317657

SCHEMBL13317657

CCCO/N=C(\CCC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.53
PPARA Q07869 13/20 0.52
PPARG P37231 12/20 0.47
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL14277936 0.90 PPARA (0.57) DRD4PPARAPPARG
SCHEMBL18193570 0.87 ATM (0.57) DRD4PPARAPPARGATMLMNA
SCHEMBL18193569 0.87 ATM (0.57) DRD4PPARAPPARGATMLMNA
SCHEMBL5460633 0.83 SMN1; SMN2 (0.46) DRD4PPARAPPARGATMLMNA
SCHEMBL5460640 0.83 SMN1; SMN2 (0.46) DRD4PPARAPPARGATMLMNA
SCHEMBL18785495 0.83 DRD4 (0.45) DRD4PPARAPPARGATMLMNA
SCHEMBL5461219 0.81 ATM (0.48) DRD4PPARAATMLMNASMN1; SMN2
SCHEMBL5461220 0.81 ATM (0.48) DRD4PPARAATMLMNASMN1; SMN2
SCHEMBL13298291 0.81 DRD4 (0.44) DRD4PPARAPPARGATMLMNA
SCHEMBL13298222 0.81 DRD4 (0.44) DRD4PPARAPPARGATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137262-A1 Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 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-20100137262-A1 Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol VDR, CYP24A1, CYP27B1 DRD4 2988/4885PPARA 186/4885PPARG 451/4885

“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.