SCHEMBL6294100

SCHEMBL6294100

COCCC1CCC(C)(C)c2ccc(C(=O)Oc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.47
RXRB P28702 7/20 0.47
RXRG P48443 6/20 0.47
RARB P10826 9/20 0.43
RARA P10276 8/20 0.43
RARG P13631 7/20 0.43
CYP26A1 O43174 7/20 0.43
CYP3A4 P08684 6/20 0.43
CYP26B1 Q9NR63 3/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL6297298 0.90 RXRA (0.46) RXRARXRBRXRGRARBRARA
SCHEMBL6292641 0.82 RXRA (0.52) RXRARXRBRXRGRARBRARA
SCHEMBL7158656 0.79 RXRA (0.48) RXRARXRBRXRGRARBRARA
SCHEMBL6708918 0.79 RARA (0.57) RARBRARARARGCYP26A1CYP3A4
SCHEMBL6596539 0.77 RARA (0.44) RARBRARARARGCYP26A1CYP3A4
SCHEMBL9165893 0.76 RXRA (0.69) RXRARXRBRXRGRARBRARA
SCHEMBL6293050 0.74 RARA (0.60) RXRARXRBRXRGRARBRARA
SCHEMBL8560366 0.74 KDM4C (0.39) RXRARXRBRXRGRARBRARA
SCHEMBL7688528 0.74 RARA (0.34) RXRARXRBRXRGRARBRARA
SCHEMBL8558259 0.72 F2 (0.38) RXRARXRBRXRGRARBRARG

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-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-04-24 US disclosed
US-20020099038-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2002-07-25 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 (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-20020099038-A1 O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RXRA 4/4885RXRB 3/4885RXRG 6/4885
US-20030078440-A1 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RXRA 4/4885RXRB 3/4885RXRG 6/4885

“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.