SCHEMBL3678749

SCHEMBL3678749

COC(=O)c1ccc2cc(-c3ccc(OC)c(C(C)(C)C)c3)ccc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.78
RARG P13631 5/20 0.78
RARA P10276 4/20 0.78
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
CYP19A1 P11511 1/20 0.52
MAPT P10636 2/20 0.48
PLAU P00749 5/20 0.47
KMT2A Q03164 2/20 0.47
PLAT P00750 2/20 0.46
PLG P00747 1/20 0.46
PTPN11 Q06124 1/20 0.45
WDR5 P61964 1/20 0.44
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43

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
SCHEMBL30301169 0.88 RARB (1.00) RARBRARGRARAKMT2AWDR5
SCHEMBL980501 0.88 RARB (1.00) RARBRARGRARAKMT2AWDR5
SCHEMBL5027170 0.85 MAPT (0.58) RARBRARGRARAMAPTKMT2A
SCHEMBL13900228 0.82 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1MAPTPLAU
SCHEMBL12761561 0.82 RARA (0.53) RARBRARGRARAMAPTKMT2A
SCHEMBL3673470 0.81 RARA (0.54) RARBRARGRARACYP11B1CYP11B2
SCHEMBL5606006 0.78 CA1 (0.65) CYP11B1CYP11B2CYP19A1MAPTPLAU
SCHEMBL30698055 0.78 CA1 (0.65) CYP11B1CYP11B2CYP19A1MAPTPLAU
SCHEMBL13980189 0.78 RARB (0.62) RARBRARGRARAPLAUWDR5
SCHEMBL10352726 0.77 RARA (0.61) RARBRARGRARAMAPTWDR5

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
EP-0199636-B1 BENZONAPHTHALENIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACY AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. Groupement d'Intérêt Economique dit: (FR) 1989-02-08 EP claimed
US-20100168241-A1 TREATMENT OF ACNE DISEASE STATES, NOTABLY ACNE VULGARIS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 US disclosed
EP-2152259-A1 USE OF A NAPHTOIC ACID DERIVATIVE IN COMBINATION WITH RED AND/OR BLUE LIGHT FOR TREATING ACNE VULGARIS Galderma Research & Development (FR) 2010-02-17 EP disclosed
WO-2008135548-A1 USE OF A NAPHTOIC ACID DERIVATIVE IN COMBINATION WITH RED AND/OR BLUE LIGHT FOR TREATING ACNE VULGARIS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-13 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 (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-20100168241-A1 TREATMENT OF ACNE DISEASE STATES, NOTABLY ACNE VULGARIS RARA, RARB, RARG RARB 2/4885RARG 3/4885RARA 1/4885

“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.