SCHEMBL6835641

SCHEMBL6835641

CCCSc1cccc2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
TLR8 Q9NR97 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ELANE P08246 1/20 0.35
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 2/20 0.33
APLNR P35414 1/20 0.33
HTR2A P28223 1/20 0.33
NQO1 P15559 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL9850477 0.88 PTGS2 (0.46) PTGS2TLR8MAPT
SCHEMBL2607777 0.83 IFNAR1 (0.45) PTGS2TLR8PDE5AALDH1A1CYP1A2
SCHEMBL28409124 0.82 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL9017764 0.82 TLR8 (0.49) PTGS2TLR8MEN1KMT2AALDH1A1
SCHEMBL28407380 0.79 KDM4E (0.38) PTGS2TLR8MEN1KMT2AALDH1A1
SCHEMBL29056062 0.79 PTGS2 (0.38) PTGS2TLR8MEN1KMT2AALDH1A1
SCHEMBL30548746 0.76 PTGS2 (0.55) PTGS2TLR8PDE5AALDH1A1
SCHEMBL10350653 0.76 PTGS2 (0.55) PTGS2TLR8PDE5AALDH1A1
SCHEMBL3698024 0.75 ALDH1A1 (0.41) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL1395162 0.74 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EGAA

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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 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-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM PTGS2 524/4885TLR8 2586/4885MEN1 830/4885

“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.