SCHEMBL19197481

SCHEMBL19197481

CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5cc6c(cc5c4)C(C)(C)c4cc5ccccc5cc4-6)c4ccc5cc6c(cc5c4)C(C)(C)c4cc5ccccc5cc4-6)cc3cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
HIF1A Q16665 2/20 0.34
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19197010 0.98 HTT (0.35) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL13055625 0.98 HTT (0.35) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL19197350 0.95 ALDH1A1 (0.39) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL13341817 0.94 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL22739817 0.94 ALDH1A1 (0.38) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL22739820 0.92 ALDH1A1 (0.37) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL19197164 0.92 HTT (0.35) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL19197163 0.92 L3MBTL1 (0.40) ALDH1A1CYP3A4HSD17B10TDP1CASP1
SCHEMBL13055591 0.92 LPL (0.39) ALDH1A1NPSR1KDM4ECYP1A2MAPT
SCHEMBL2606535 0.92 PDK2 (0.35) ALDH1A1CYP3A4HSD17B10TDP1CASP1

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-10547007-B2 Compound, organic electroluminescent material, organic electroluminescent element, and electronic apparatus IDEMITSU KOSAN CO., LTD. (JP) 2020-01-28 US disclosed
US-20170222144-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 US disclosed
US-20170222144-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2017-08-03 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-10547007-B2 Compound, organic electroluminescent material, organic electroluminescent element, and electronic apparatus RPS10, RPS20, RPS19 ALDH1A1 663/4885CYP3A4 1652/4885HSD17B10 2575/4885
US-20170222144-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPARATUS RPS10, RPS20, RPS19 ALDH1A1 663/4885CYP3A4 1652/4885HSD17B10 2575/4885

“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.