SCHEMBL7051352

SCHEMBL7051352

CCSC1=CCC(C)(C)c2ccc(C=COC(=O)c3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.48
RARB P10826 9/20 0.48
RARG P13631 9/20 0.48
RXRA P19793 3/20 0.48
NR2E1 Q9Y466 1/20 0.48
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
SYK P43405 1/20 0.31
VCP P55072 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL6705630 0.87 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8557715 0.87 RARA (0.48) RARARARBRARGRXRANR2E1
Methane SCHEMBL8560238 0.82 RARA (0.47) RARARARBRARGRXRANR2E1
SCHEMBL6293940 0.81 RARA (0.64) RARARARBRARGRXRANR2E1
SCHEMBL6293941 0.81 RARA (0.64) RARARARBRARGRXRANR2E1
SCHEMBL8633015 0.81 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8560773 0.81 RARA (0.48) RARARARBRARGRXRANR2E1
SCHEMBL8560240 0.81 RARA (0.46) RARARARBRARGRXRANR2E1
SCHEMBL6759497 0.79 RARA (0.51) RARARARBRARGRXRANR2E1
SCHEMBL6759496 0.79 RARA (0.51) RARARARBRARGRXRANR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2003-10-02 US disclosed
US-5808124-A BINDING TO RETINOID RECEPTORS ALLERGAN (US) 1998-09-15 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 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-20030187235-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB RARA 2/4885RARB 1/4885RARG 5/4885

“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.