SCHEMBL9917544

SCHEMBL9917544

CCN1c2cc3ccccc3cc2N(CC)c2cc3ccccc3cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
MPI P34949 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1B1 Q16678 2/20 0.41
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
MYC P01106 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALOX12 P18054 1/20 0.33

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
SCHEMBL10133971 0.87 CYP2A6 (0.38) CYP2A6CYP1A2ALDH1A1HPGDCASP1
SCHEMBL474136 0.78 POLB (0.46) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL2877910 0.78
SCHEMBL29699888 0.78 POLB (0.46) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL9917545 0.74 CES1 (0.50) CYP1A2ALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL10133951 0.73 CYP3A4 (0.35) CYP1A2ALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL12235642 0.73 CYP1B1 (0.63) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL23337524 0.73 ALDH1A1 (0.38) CYP1A2ALDH1A1HPGDCASP1MPI
SCHEMBL7263146 0.72 MEN1 (0.40) ALDH1A1HPGDCASP1MPICACNA1B
SCHEMBL2330603 0.70 MAOA (0.44) CYP2A6CYP1A2ALDH1A1MEN1KMT2A

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-20120146009-A1 NOVEL COMPOUND, FIELD-EFFECTIVE TRANSISTOR, SOLAR CELL, METHOD FOR PRODUCING SAID COMPOUND, FIELD-EFFECTIVE TRANSISTOR, AND SOLAR CELL, COMPOSITION FOR ORGANIC SEMICONDUCTOR LAYER, AND COMPOSITION FOR P-TYPE SEMICONDUCTOR LAYER SHARP KABUSHIKI KAISHA (JP) 2012-06-14 US disclosed
US-20120146009-A1 NOVEL COMPOUND, FIELD-EFFECTIVE TRANSISTOR, SOLAR CELL, METHOD FOR PRODUCING SAID COMPOUND, FIELD-EFFECTIVE TRANSISTOR, AND SOLAR CELL, COMPOSITION FOR ORGANIC SEMICONDUCTOR LAYER, AND COMPOSITION FOR P-TYPE SEMICONDUCTOR LAYER SHARP KABUSHIKI KAISHA (JP) 2012-06-14 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-20120146009-A1 NOVEL COMPOUND, FIELD-EFFECTIVE TRANSISTOR, SOLAR CELL, METHOD FOR PRODUCING SAID COMPOUND, FIELD-EFFECTIVE TRANSISTOR, AND SOLAR CELL, COMPOSITION FOR ORGANIC SEMICONDUCTOR LAYER, AND COMPOSITION FOR P-TYPE SEMICONDUCTOR LAYER CRY1, TCF4, H1-4 CYP2A6 1107/4885CYP1A2 760/4885ALDH1A1 2977/4885

“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.