SCHEMBL9945979

SCHEMBL9945979

CCOc1c(C=O)cc(C)cc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.44
ERN1 O75460 3/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 9/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.35
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL14988690 0.78 SRC (0.45) SRCERN1LMNAALDH1A1CYP1A2
SCHEMBL9945945 0.77 KMT2A (0.36) LMNAALDH1A1GAAKDM4E
SCHEMBL12538919 0.77 SRC (0.47) SRCERN1LMNAALDH1A1CYP1A2
SCHEMBL1252425 0.75 CA1 (0.42) SRCLMNAALDH1A1GAASMN1; SMN2
SCHEMBL310863 0.72 ERN1 (0.67) SRCERN1LMNAALDH1A1GAA
SCHEMBL7284734 0.71 SRC (0.52) SRCERN1LMNAALDH1A1CYP1A2
SCHEMBL20831956 0.70 ERN1 (0.51) SRCERN1LMNAALDH1A1CYP1A2
SCHEMBL7290764 0.70 SRC (0.47) SRCERN1LMNAALDH1A1GAA
SCHEMBL18319253 0.70 LMNA (0.51) LMNAALDH1A1GAAKDM4ENPSR1
SCHEMBL14036616 0.70 LMNA (0.47) ERN1LMNAALDH1A1CYP1A2GAA

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 SRC 1082/4885ERN1 2855/4885LMNA 3453/4885

“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.