SCHEMBL23957908

SCHEMBL23957908

CSc1ccc2c(ccc3ccccc32)c1SC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.54
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP2A6 P11509 2/20 0.46
PAX8 Q06710 1/20 0.41
HIF1A Q16665 3/20 0.40
CYP1B1 Q16678 2/20 0.40
SLC2A1 P11166 1/20 0.39
MAPK1 P28482 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
APEX1 P27695 1/20 0.38
PMP22 Q01453 1/20 0.38
HPGD P15428 3/20 0.37
USP2 O75604 2/20 0.37
PAK1 Q13153 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL30357700 0.90 CYP2A6 (0.46) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1057369 0.90 CYP2A6 (0.46) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL23957890 0.81 HSD17B10 (0.41) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL10781864 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL11908113 0.77 CYP2A6 (0.50) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1955362 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRTDP1CYP2A6
SCHEMBL23027425 0.74 HSD17B10 (0.50) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL13021634 0.74 TSHR (0.56) HPRT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL25510 0.73 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRTDP1
Chrysene SCHEMBL384031 0.73 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TSHRTDP1

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 HPRT1 2136/4885ALDH1A1 3137/4885HSD17B10 823/4885

“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.