SCHEMBL25901189

SCHEMBL25901189

c1ccc2c(c1)CC(c1ccc3c(c1)OCCC3)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
KMT2A Q03164 2/20 0.40
MAOB P27338 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
AR P10275 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
KCNH2 Q12809 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL19088010 0.90 RAB9A (0.44) RAB9ANPC1KMT2AMAOBADORA3
SCHEMBL19663622 0.89 RAB9A (0.50) RAB9ANPC1KMT2AMAOBADORA3
SCHEMBL19228057 0.82 RAB9A (0.35) RAB9ANPC1KMT2AESR1ESR2
SCHEMBL19441357 0.80 RAB9A (0.39) RAB9ANPC1KMT2AMEN1ESR2
SCHEMBL19301952 0.74 RAB9A (0.59) RAB9ANPC1KMT2AMEN1ESR1
SCHEMBL21778549 0.74 NPC1 (0.42) RAB9ANPC1MAOBADORA3KDM4E
SCHEMBL8447 0.73 ITGB2 (0.52) MAOBCTNNB1WNT3A
SCHEMBL5313090 0.73 ITGB2 (0.52) MAOBCTNNB1WNT3A
SCHEMBL29356442 0.73 ITGB2 (0.52) MAOBCTNNB1WNT3A
Fluoride SCHEMBL28202465 0.73 ITGB2 (0.52) MAOBCTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226034-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR PHOTODERMATOSIS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-07-20 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-20230226034-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR PHOTODERMATOSIS TYR, MC1R, MITF RAB9A 2983/4885NPC1 3005/4885KMT2A 2215/4885

“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.