SCHEMBL23957909

SCHEMBL23957909

CSc1ccc(-c2ccccc2)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ADORA2A P29274 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
SCHEMBL7648904 0.88 APP (0.35) HDAC1HDAC8HDAC6ALDH1A1HSD17B10
SCHEMBL18594367 0.83 ALDH1A1 (0.43) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL20344255 0.83 HDAC1 (0.41) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL23106363 0.83 ADORA2A (0.40) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL30849651 0.83 LMNA (0.42) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3784681 0.81 HSD17B10 (0.52) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL18966731 0.81 HDAC1 (0.40) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL8188546 0.81 ADORA2A (0.39) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3789297 0.81 MAPT (0.57) ALOX5HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL25047046 0.78 BCL2 (0.40) HDAC1HDAC8HDAC6ALDH1A1MAPT

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-20210332011-A1 TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-10-28 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-20210332011-A1 TOTAL SYNTHESIS OF PROSTAGLANDIN J NATURAL PRODUCTS BY TEREORETENTIVE METATHESIS PTGES, PTGES2, PTGIS ALOX5 32/4885HDAC1 4830/4885HDAC8 4474/4885

“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.