SCHEMBL17752829

SCHEMBL17752829

CCc1ccc(-c2ccc(CS)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.52
TP53 P04637 2/20 0.43
EGFR P00533 1/20 0.43
UCHL1 P09936 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CYP2A6 P11509 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
METAP2 P50579 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL17752815 1.00 IDO1 (0.52) IDO1TP53EGFRUCHL1TAAR1
SCHEMBL17752820 1.00 IDO1 (0.52) IDO1TP53EGFRUCHL1TAAR1
SCHEMBL171069 0.92 IDO1 (0.60) IDO1TP53TAAR1CYP2A6LPL
SCHEMBL1702558 0.86 TP53 (0.56) TP53EGFRUCHL1TAAR1HRH3
SCHEMBL2776957 0.86 TP53 (0.56) TP53EGFRUCHL1TAAR1HRH3
SCHEMBL17756332 0.86 IDO1 (0.58) IDO1TAAR1HRH3
SCHEMBL441726 0.86 IDO1 (0.58) IDO1TAAR1HRH3
SCHEMBL17756329 0.86 IDO1 (0.58) IDO1TAAR1HRH3
SCHEMBL17752822 0.84 TP53 (0.47) IDO1TP53EGFRMETAP2NISCH
SCHEMBL6921140 0.79 NISCH (0.44) IDO1TP53EGFRUCHL1TAAR1

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-20160137598-A1 SYNTHESIS OF CYCLOPHANES FROM A SELF-ASSEMBLY REACTION UNIVERSITY OF OREGON (US) 2016-05-19 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-20160137598-A1 SYNTHESIS OF CYCLOPHANES FROM A SELF-ASSEMBLY REACTION TST, CTH, CBS IDO1 1121/4885TP53 3881/4885EGFR 2909/4885

“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.