SCHEMBL10260705

SCHEMBL10260705

O=COc1ccc(C#Cc2cc(C#Cc3ccc(OC=O)cc3)cc(C#Cc3ccc(C(=O)O)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
RARA P10276 2/20 0.46
CYP26A1 O43174 1/20 0.46
CYP3A4 P08684 1/20 0.46
CRABP2 P29373 1/20 0.46
PTPN11 Q06124 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PKM P14618 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PARP15 Q460N3 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
SCHEMBL20022595 1.00 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL16769659 1.00 RARB (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL20022593 0.89 RXRA (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL20022592 0.89 RXRA (0.46) RARBRARGRARACYP26A1CYP3A4
SCHEMBL20022594 0.88 RARB (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL6054668 0.84 CA1 (0.56) CA1CA2PKMALDH1A1L3MBTL1
SCHEMBL20026796 0.82 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL19433669 0.82 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL1535879 0.82 RARB (0.62) RARBRARGRARACYP26A1CYP3A4
SCHEMBL27851888 0.81 CA1 (0.52) CA1CA2PKMALDH1A1L3MBTL1

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-8841471-B2 Open metal organic frameworks with exceptional surface area and high gas storage capacity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-23 US disclosed
US-20120172612-A1 OPEN METAL ORGANIC FRAMEWORKS WITH EXCEPTIONAL SURFACE AREA AND HIGH GAS STORAGE CAPACITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-05 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-20120172612-A1 OPEN METAL ORGANIC FRAMEWORKS WITH EXCEPTIONAL SURFACE AREA AND HIGH GAS STORAGE CAPACITY EPCAM, SLCO1A2, SLCO2A1 RARB 2309/4885RARG 1725/4885RARA 1437/4885

“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.