SCHEMBL3801401

SCHEMBL3801401

CCCCCCCCCCOc1ccc(-c2ccc3cc(C(=O)OC)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.63
RARG P13631 8/20 0.63
RARA P10276 5/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
NR1I2 O75469 1/20 0.63
LMNA P02545 1/20 0.63
PGR P06401 1/20 0.63
HSPD1 P10809 1/20 0.63
GOT1 P17174 1/20 0.63
GLRA1 P23415 1/20 0.63
BLM P54132 1/20 0.63
HSPE1 P61604 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL3803050 1.00 RARB (0.63) RARBRARGRARAMEN1KMT2A
SCHEMBL979218 0.91 RARB (0.72) RARBRARGRARAMEN1KMT2A
SCHEMBL980744 0.91 RARB (0.72) RARBRARGRARAMEN1KMT2A
SCHEMBL8765807 0.90 RARB (0.62) RARBRARGRARAMEN1KMT2A
SCHEMBL7920651 0.90 RARB (0.54) RARBRARGRARAMEN1KMT2A
SCHEMBL641921 0.85 RARB (0.81) RARBRARGRARAMEN1KMT2A
SCHEMBL30698054 0.85 RARB (0.81) RARBRARGRARAMEN1KMT2A
SCHEMBL25230655 0.84 IKBKB (0.61) RARBRARGRARAMEN1KMT2A
SCHEMBL30428692 0.84 IKBKB (0.61) RARBRARGRARAMEN1KMT2A
SCHEMBL7077350 0.84 RARB (0.61) RARBRARGRARAMEN1KMT2A

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-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.