SCHEMBL20440798

SCHEMBL20440798

CC1=C(C(=O)Cc2ccccc2)C(C)(C)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.42
▸ RXRA P19793 3/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ RARB P10826 3/20 0.38
▸ CETP P11597 1/20 0.38
▸ HAO1 Q9UJM8 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ RARG P13631 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP26A1 O43174 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MCL1 Q07820 1/20 0.36

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
SCHEMBL14879980 0.78 RXRA (0.38) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL12813465 0.77 RARB (0.43) RXRARXRBRXRGCYP1A2RARB
SCHEMBL17129798 0.76 CYP1A2 (0.44) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL14227659 0.74 RARB (0.35) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL11316448 0.74 CYP1A2 (0.40) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL9342959 0.73 CYP1A2 (0.51) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL11226671 0.73 CYP1A2 (0.41) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL12813484 0.72 ALDH1A1 (0.42) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL18308880 0.72 CYP1A2 (0.41) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL11467133 0.72 HAO1 (0.41) RXRARXRBRXRGCYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — US claimed
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — US disclosed
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — 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-10040749-B2 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, PDE6C AKR1B1 4012/4885RXRA 125/4885RXRB 65/4885

“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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