SCHEMBL20914937

SCHEMBL20914937

c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2c1ccc1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2A6 P11509 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPRT1 P00492 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.38
NSD2 O96028 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
DHFR P00374 1/20 0.37
TYMS P04818 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
SCHEMBL29473425 0.94 DNMT1 (0.43) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL19974142 0.94 DNMT1 (0.43) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL19849929 0.88 CYP2A6 (0.44) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL19797291 0.88 PDK2 (0.39) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL25125703 0.87 DHFR (0.38) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30692616 0.87 HSD17B10 (0.38) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL22688480 0.86 DNMT1 (0.35) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL25125435 0.86 CYP1A2 (0.42) DNMT1ALDH1A1HSD17B10CYP2A6MAPT
SCHEMBL23561376 0.84 CYP1A2 (0.41) DNMT1ALDH1A1HSD17B10CYP2A6MAPT
SCHEMBL19383077 0.84 KIF11 (0.45) DNMT1ALDH1A1HSD17B10CYP2A6TSHR

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-11555028-B2 Organic compound and photoelectric conversion element CANON KABUSHIKI KAISHA (JP) 2023-01-17 US disclosed
US-20190119258-A1 ORGANIC COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT CANON KABUSHIKI KAISHA (JP) 2019-04-25 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 (2 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-20190119258-A1 ORGANIC COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT SCN2B, MRPS22, CTNNA1 DNMT1 467/4885ALDH1A1 908/4885HSD17B10 1632/4885
US-11555028-B2 Organic compound and photoelectric conversion element SCN2B, MRPS22, CTNNA1 DNMT1 467/4885ALDH1A1 908/4885HSD17B10 1632/4885

“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.