SCHEMBL17855424

SCHEMBL17855424

c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)sc4ccccc45)c4ccc5c(c4)sc4ccccc45)cccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR3 P46089 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL17855408 0.97 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21141186 0.97 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17854312 0.96 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25472932 0.96 MAPT (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25145820 0.95 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25472906 0.95 MAPT (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17693362 0.95 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855076 0.93 GPR3 (0.32) ALDH1A1MAPTGPR3POLBTDP1
SCHEMBL17855422 0.93 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855417 0.93 ALOX5 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 ALDH1A1 848/4885MAPT 1923/4885HPGD 4588/4885

“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.