SCHEMBL20440810

SCHEMBL20440810

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.38
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARG P13631 2/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ RARA P10276 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ SLC6A2 P23975 2/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL20942917 0.85 RXRA (0.35) RXRARXRBRXRGRARBRARG
SCHEMBL12813348 0.78 RXRA (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL20440811 0.73 HIF1A (0.38) —
SCHEMBL11455628 0.72 CYP1A2 (0.36) RXRACYP1A2HAO1
SCHEMBL11447552 0.72 ALDH1A1 (0.33) CYP1A2HAO1
SCHEMBL1628486 0.71 CYP1A2 (0.40) RXRARXRBRXRGRARBRARG
SCHEMBL20440798 0.69 AKR1B1 (0.42) RXRARXRBRXRGRARBRARG
SCHEMBL12813768 0.69 CYP2C19 (0.35) RXRARXRBRXRGCYP1A2
SCHEMBL14879980 0.68 RXRA (0.38) RXRARXRBRXRGRARBRARG
SCHEMBL12813412 0.68 SLC6A2 (0.35) RXRACYP1A2SLC6A2SLC6A4

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 DUSP3 334/4885RXRA 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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