SCHEMBL14879980

SCHEMBL14879980

CC1=C(C(=O)CC(O)c2ccccc2)C(C)(C)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 4/20 0.37
▸ LMNA P02545 2/20 0.36
▸ RARB P10826 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HAO1 Q9UJM8 1/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SLC18A2 Q05940 1/20 0.35

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
SCHEMBL11316448 0.79 CYP1A2 (0.40) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL20440798 0.78 AKR1B1 (0.42) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL14227659 0.78 RARB (0.35) RXRARXRBRXRGCYP1A2LMNA
SCHEMBL14879860 0.75 CYP1A2 (0.37) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL11851829 0.75 CYP1A2 (0.39) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL20446707 0.72 CYP1A2 (0.40) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL17129798 0.72 CYP1A2 (0.44) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL17675719 0.72 RXRA (0.43) RXRARXRBRXRGCYP1A2RARB
SCHEMBL16863841 0.71 CYP1A2 (0.36) RXRARXRBRXRGKMT2ACYP1A2
SCHEMBL12813348 0.70 RXRA (0.38) RXRARXRBRXRGCYP1A2RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 — — US disclosed
US-9499464-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
EP-2768307-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2014-08-27 — — EP disclosed
WO-2013058809-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO 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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C RXRA 153/4885RXRB 74/4885RXRG 36/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA RXRA 126/4885RXRB 63/4885RXRG 28/4885

“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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