SCHEMBL9917545

SCHEMBL9917545

CCCCCCN1c2cc3ccccc3cc2N(CCCCCC)c2cc3ccccc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CDC25A P30304 1/20 0.50
ALDH1A1 P00352 3/20 0.47
ALDH2 P05091 1/20 0.47
ALDH3A1 P30838 1/20 0.47
CNR2 P34972 3/20 0.46
CNR1 P21554 1/20 0.46
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GALR3 O60755 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL30141987 0.84 CDC25A (0.61) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL3635173 0.84 CDC25A (0.61) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL15644072 0.81 ALDH1A1 (0.59) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL14560547 0.79 CDC25A (0.56) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL7450815 0.78 CDC25A (0.56) CES1CDC25AALDH1A1ALDH2ALDH3A1
Dodecane SCHEMBL27596710 0.77 NPC1 (0.50) ALDH1A1CYP1A2MEN1KMT2ANPC1
SCHEMBL5323524 0.76 CES1 (0.53) CES1CDC25AALDH1A1ALDH2ALDH3A1
SCHEMBL9917544 0.74 CYP2A6 (0.43) ALDH1A1CYP1A2MEN1KMT2AKDM4E
SCHEMBL12307238 0.74 HTR2A (0.64) CES1CDC25AALDH1A1CNR1CYP1A2
SCHEMBL2783880 0.74 MEN1 (0.53) CES1CDC25AALDH1A1ALDH2ALDH3A1

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 CES1 2938/4885CDC25A 324/4885ALDH1A1 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.