SCHEMBL3157708

SCHEMBL3157708

[CH2]COc1cccc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.44
ABCB1 P08183 3/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
NFE2L2 Q16236 3/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3156651 0.87 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL11125768 0.84 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1TSHRCYP1A2CYP2D6
SCHEMBL11105088 0.84 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1ABCB1L3MBTL1TSHR
SCHEMBL25434306 0.82 CA1 (0.61) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL151213 0.82 CA1 (0.61) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL27753904 0.82 CA1 (0.61) SMN1; SMN2MAPK1CA12CA1CA2
SCHEMBL12129060 0.81 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1ABCB1CA12CA1
SCHEMBL402370 0.80 CA1 (0.62) SMN1; SMN2MAPK1CA12CA1CA2
Formaldehyde SCHEMBL28092618 0.80 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1CA12CA1CA2
Propane SCHEMBL27582651 0.80 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1ABCB1CA12CA1

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US disclosed
EP-0054132-A1 Pyrimidones, their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1982-06-23 EP 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 SMN1; SMN2 3564/4885MAPK1 1831/4885ABCB1 3751/4885

“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.