SCHEMBL13169484

SCHEMBL13169484

CCc1cc2c(=O)c(-c3ccc(OC)cc3)coc2cc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
KLK7 P49862 1/20 0.74
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
CYP2D6 P10635 3/20 0.66
CYP2C9 P11712 3/20 0.66
CYP2C19 P33261 3/20 0.66
MAOA P21397 3/20 0.66
MAOB P27338 3/20 0.66
KDM4E B2RXH2 3/20 0.66
TP53 P04637 3/20 0.66
CYP3A4 P08684 3/20 0.66
HPGD P15428 3/20 0.66
HDAC6 Q9UBN7 2/20 0.66
CYP1B1 Q16678 2/20 0.66
HSD17B10 Q99714 2/20 0.66
BCL2 P10415 1/20 0.66

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
Formonetin SCHEMBL4728656 0.89 RAB9A (0.83) RAB9AKLK7MEN1KMT2AALDH1A1
SCHEMBL10561558 0.88 RAB9A (0.64) RAB9AKLK7MEN1KMT2AALDH1A1
SCHEMBL5272234 0.86 PTPN1 (0.69) RAB9AKLK7MAPTSMN1; SMN2KDM4E
SCHEMBL12940987 0.85 ALOX12 (0.59) RAB9AKLK7MEN1KMT2AALDH1A1
Castanin SCHEMBL572274 0.85 RAB9A (1.00) RAB9AKLK7MEN1KMT2AALDH1A1
SCHEMBL5273450 0.85 ALOX12 (0.59) RAB9AKLK7MEN1KMT2AALDH1A1
SCHEMBL5275289 0.85 ALDH1A1 (0.60) RAB9AKLK7MEN1KMT2AALDH1A1
SCHEMBL28495484 0.84 RAB9A (0.65) RAB9AKLK7MEN1KMT2AALDH1A1
SCHEMBL13904760 0.84 MIF (0.64) RAB9AKLK7KMT2AALDH1A1MAPT
SCHEMBL29448332 0.82 RAB9A (0.90) RAB9AKLK7MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 US disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 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-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 RAB9A 1608/4885KLK7 1081/4885MEN1 3603/4885

“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.