SCHEMBL6708918

SCHEMBL6708918

CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(COC)CCC3(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.57
RARB P10826 4/20 0.57
RARG P13631 1/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
CYP3A4 P08684 3/20 0.39
KMT2A Q03164 1/20 0.38
DRD3 P35462 1/20 0.37
CYP26A1 O43174 2/20 0.37
MAPK1 P28482 3/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
FDFT1 P37268 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
SCHEMBL6297298 0.89 RXRA (0.46) RARARARBRARGCYP3A4CYP26A1
SCHEMBL6596539 0.88 RARA (0.44) RARARARBRARGCYP3A4KMT2A
SCHEMBL6292635 0.86 RARA (0.62) RARARARBRARGPRSS1ACR
SCHEMBL6294126 0.84 RAB9A (0.48) RARARARBRARGCYP3A4KMT2A
SCHEMBL8668337 0.84 RARB (0.46) RARARARBRARGCYP3A4KMT2A
SCHEMBL9551782 0.80 RARB (0.71) RARARARBRARGPRSS1ACR
SCHEMBL8558259 0.80 F2 (0.38) RARBRARGCYP3A4CYP26A1LMNA
SCHEMBL8560364 0.80 CYP3A4 (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL6294100 0.79 RXRA (0.47) RARARARBRARGCYP3A4KMT2A
SCHEMBL8560366 0.77 KDM4C (0.39) RARARARBRARGKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818775-B2 TREATMENT OF SKIN-RELATED DISEASES OR PREVENTION OF CERTAIN UNDESIRED SIDE EFFECTS OF ADMINISTERED RETINOIDS ALLERGAN, INC. 2004-11-16 US disclosed
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity JOHNSON ALAN T (US) 2004-07-01 US disclosed
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
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

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-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
US-20040127469-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.