SCHEMBL24410699

SCHEMBL24410699

CC1(C)CCC(C)(C)c2cc(C#Cc3ncc(C(=O)O)cn3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 9/20 0.71
▸ RARG P13631 9/20 0.71
▸ RARA P10276 6/20 0.71
▸ CYP26A1 O43174 4/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ CRABP2 P29373 1/20 0.71
▸ RXRA P19793 12/20 0.53
▸ RXRB P28702 11/20 0.53
▸ RXRG P48443 9/20 0.53
▸ CYP26B1 Q9NR63 2/20 0.49

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
SCHEMBL19342945 0.86 RARG (0.56) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9268167 0.85 CYP26A1 (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5084210 0.85 CYP3A4 (0.72) RARBRARGRARACYP26A1CYP3A4
SCHEMBL29353973 0.84 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3302926 0.84 RARB (1.00) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342983 0.83 CYP3A4 (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342961 0.83 CYP3A4 (0.77) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342962 0.82 RARB (0.48) RARBRARGRARACYP26A1CYP3A4
SCHEMBL31756569 0.81 RARG (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19342946 0.81 RARG (0.65) RARBRARGRARACYP26A1CYP3A4

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-20220144783-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION UNIVERSITY OF DURHAM (GB) 2022-05-12 — — 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-20220144783-A1 SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION RARA, RXRA, RARB RARB 3/4885RARG 4/4885RARA 1/4885

“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.

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