SCHEMBL7549795

SCHEMBL7549795

CCc1cc(C#Cc2cc[c]cc2)ccc1C1(OC(C)C)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32
CRABP2 P29373 1/20 0.32

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
SCHEMBL5738454 0.83 RARB (0.52) ACACBRARARARBRARGCYP26A1
SCHEMBL7980207 0.82 CYP26A1 (0.38) ACACBRARARARBRARGCYP26A1
SCHEMBL6425787 0.81 AKR1C3 (0.41) ACACBRARARARBRARGCYP26A1
SCHEMBL5735781 0.81 FFAR1 (0.44) ACACBRARARARBRARGCYP26A1
SCHEMBL7980771 0.81 RARB (0.38) ACACBRARARARBRARGCYP26A1
SCHEMBL5737644 0.81
SCHEMBL5737179 0.81 RARA (0.42) ACACBRARARARBRARGCYP26A1
SCHEMBL5737929 0.77
SCHEMBL7684995 0.76 SRC (0.35) RARARARBRARGCYP26A1CYP3A4
SCHEMBL7982072 0.74 RARB (0.36) ACACBRARARARBRARGCYP26A1

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-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-19 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-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG ACACB 1070/4885RARA 1/4885RARB 2/4885

“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.