SCHEMBL17953799

SCHEMBL17953799

c1cc2c3c(cccc3c1)-c1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4sc5ccccc5c4c3)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 3/20 0.33
MAPK1 P28482 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 2/20 0.33
HIF1A Q16665 2/20 0.33
TP53 P04637 1/20 0.33
CASP7 P55210 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
ATM Q13315 2/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL19202955 0.92 L3MBTL1 (0.33) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL17953704 0.91 L3MBTL1 (0.40) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL17953841 0.91 L3MBTL1 (0.34) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19202795 0.91 L3MBTL1 (0.31) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19202716 0.90 L3MBTL1 (0.30) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19202874 0.90 S1PR4 (0.31) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL18252573 0.89 GPR3 (0.36) ALDH1A1HPGDL3MBTL1ATMALOX5
SCHEMBL19202879 0.89 S1PR4 (0.31) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL17341419 0.88 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1HSD17B10HPGD
SCHEMBL19202800 0.88 L3MBTL1 (0.32) ALDH1A1TSHRMAPK1HSD17B10HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10622569-B2 Compound, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-04-14 US disclosed
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-28 US disclosed
US-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-28 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 (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-20160218299-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE EFNA1, L1CAM, LEF1 ALDH1A1 299/4885TSHR 3841/4885MAPK1 294/4885
US-10622569-B2 Compound, organic electroluminescent element, and electronic device EFNA1, L1CAM, LEF1 ALDH1A1 299/4885TSHR 3841/4885MAPK1 294/4885

“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.