SCHEMBL13317656

SCHEMBL13317656

C=CCO/N=C(\CCC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.51
PPARA Q07869 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL18193576 0.87 ATM (0.52) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL18193568 0.87 ATM (0.52) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL13317657 0.80 DRD4 (0.53) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL18786080 0.80 DRD4 (0.45) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL13298225 0.80 DRD4 (0.45) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL13298290 0.80 DRD4 (0.45) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL13317256 0.79 SMN1; SMN2 (0.39) DRD4ATMSMN1; SMN2KMT2AALDH1A1
SCHEMBL14277936 0.78 PPARA (0.57) DRD4PPARA
SCHEMBL5460633 0.78 SMN1; SMN2 (0.46) DRD4PPARAATMSMN1; SMN2KMT2A
SCHEMBL5460640 0.78 SMN1; SMN2 (0.46) DRD4PPARAATMSMN1; SMN2KMT2A

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-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-04-27 US disclosed
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 (2 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-20170114013-A1 LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL VDR, CYP24A1, CYP27B1 DRD4 2988/4885PPARA 186/4885ATM 4262/4885
US-20100137262-A1 Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol VDR, CYP24A1, CYP27B1 DRD4 2988/4885PPARA 186/4885ATM 4262/4885

“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.