SCHEMBL20067360

SCHEMBL20067360

CC(C)c1ccccc1Nc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP26A1 O43174 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR4 P51679 1/20 0.43
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
MAPK14 Q16539 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41

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
SCHEMBL1923372 0.82 ALDH1A1 (0.68) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL29688279 0.82 ALDH1A1 (0.68) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL11802401 0.82 CYP26A1 (0.45) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL30285203 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL5686057 0.79 L3MBTL1 (0.47) ALDH1A1CYP3A4HSD17B10HPGDRAB9A
SCHEMBL7979001 0.79 TDP1 (0.50) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL16867383 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL3958491 0.78 L3MBTL1 (0.57) CYP3A4HPGDCYP1A2HIF1AL3MBTL1
SCHEMBL11653184 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2
SCHEMBL1011046 0.78 ALDH1A1 (0.57) ALDH1A1CYP3A4HSD17B10HPGDCYP1A2

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-20180105534-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE NANJING TOPTO MATERIALS CO.,LTD. (CN) 2018-04-19 US disclosed
US-20180105534-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE NANJING TOPTO MATERIALS CO.,LTD. (CN) 2018-04-19 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-20180105534-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE PNMT, H1-0, H1-10 ALDH1A1 1076/4885CYP3A4 369/4885HSD17B10 3170/4885

“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.