SCHEMBL6733209

SCHEMBL6733209

CC1(C)CCC(C)(C)c2cc(C3(C)COc4ccc(C(=O)N5CCOCC5)cc43)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
CNR1 P21554 2/20 0.44
RXRA P19793 5/20 0.43
CYP26A1 O43174 3/20 0.43
CYP26B1 Q9NR63 3/20 0.43
RXRB P28702 2/20 0.43
CNR2 P34972 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7799673 0.82 RXRA (0.50) RXRACYP26A1CYP26B1RXRBKDM4E
SCHEMBL6730217 0.82 RXRA (0.57) RXRACYP26A1CYP26B1RXRB
SCHEMBL6734636 0.80 CYP3A4 (0.51) RXRACYP26A1CYP26B1RXRBALDH1A1
SCHEMBL7793999 0.77 RXRA (0.52) RXRACYP26A1CYP26B1RXRBKDM4E
SCHEMBL7794003 0.77 RXRA (0.52) RXRACYP26A1CYP26B1RXRBKDM4E
SCHEMBL7794000 0.77 RXRA (0.52) RXRACYP26A1CYP26B1RXRBKDM4E
SCHEMBL7799798 0.75 RARG (0.48) RXRACYP26A1CYP26B1RXRBKDM4E
SCHEMBL6734359 0.75 CYP26A1 (0.57) HPGDRXRACYP26A1CYP26B1RXRB
SCHEMBL7802962 0.75 RARG (0.48) RXRACYP26A1CYP26B1RXRBKDM4E
SCHEMBL6729166 0.74 RXRA (0.59) RXRACYP26A1CYP26B1RXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 US claimed
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP claimed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 US claimed
US-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof DIAZ PHILIPPE (FR) 2004-08-19 US disclosed
EP-0823903-B1 HETEROCYCLIC DIARYL COMPOUNDS, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME, AND USES THEREOF CT INTERNAT DE RECH S (FR) 2001-07-18 EP disclosed
US-5981776-A FOR USE IN HUMAN OR VETERINARY MEDICINE (DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL COMPLAINTS IN PARTICULAR), OR ALTERNATIVELY IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-09 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-20040162339-A1 Heterocyclic biaryl compounds, pharmaceutical and cosmetic compositions containing them and uses thereof TYR, MITF, CYP1B1 HPGD 302/4885CNR1 1084/4885RXRA 407/4885

“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.