SCHEMBL21966049

SCHEMBL21966049

c1ccc(N(c2ccccc2)c2ccc3sc4ccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc6c(c5)sc5ccccc56)cc4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
GPR3 P46089 1/20 0.35
F9 P00740 2/20 0.34
S1PR5 Q9H228 7/20 0.34
S1PR4 O95977 6/20 0.34
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
ACMSD Q8TDX5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL21966473 1.00 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21966369 1.00 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19429052 0.96 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23515815 0.96 ESR1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27274325 0.96 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21966477 0.96 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27274329 0.95 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL27273323 0.95 ESR1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19429094 0.94 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24841964 0.94 HSD17B1 (0.36) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-20200176685-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-06-04 US disclosed
US-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-05-07 US disclosed
US-20200144510-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2020-05-07 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-20200144508-A1 ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD1, OCIAD2, OR10J3 ALDH1A1 49/4885MAPT 2375/4885HPGD 2197/4885

“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.