SCHEMBL10025035

SCHEMBL10025035

CCCCC(CC)COc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(OCC(CC)CCCC)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(OC)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 4/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.39
ACHE P22303 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CA2 P00918 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL12619718 0.95 CYP3A4 (0.42) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL10057744 0.95 TDP1 (0.47) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL8943702 0.91 TDP1 (0.50) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL13581607 0.88 CYP3A4 (0.43) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL16500695 0.85 TDP1 (0.34) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL10025036 0.85 TDP1 (0.34) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL762244 0.84 CYP3A4 (0.45) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL1822785 0.84 TDP1 (0.56) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL20357876 0.83 CYP3A4 (0.47) TDP1ALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL8943687 0.82 CYP3A4 (0.46) TDP1ALDH1A1CYP3A4LMNAHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170082426-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2017-03-23 US disclosed
US-9595678-B2 Dye solar cell with improved stability BASF SE (DE) 2017-03-14 US disclosed
US-9087991-B2 Photovoltaic element BASF SE (DE) 2015-07-21 US disclosed
US-20150124268-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2015-05-07 US disclosed
US-9001029-B2 Detector for optically detecting at least one object BASF SE (DE) 2015-04-07 US disclosed
US-20140130870-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES BASF SE (DE) 2014-05-15 US disclosed
US-20120279566-A1 PHOTOVOLTAIC ELEMENT WITH INCREASED LONG-TERM STABILITY BASF SE (DE) 2012-11-08 US disclosed
US-20120206336-A1 DETECTOR FOR OPTICALLY DETECTING AT LEAST ONE OBJECT BASF SE (DE) 2012-08-16 US disclosed
US-20120192945-A1 PHOTOVOLTAIC ELEMENT BASF SE (DE) 2012-08-02 US disclosed
US-20120017995-A1 DYE SOLAR CELL WITH IMPROVED STABILITY BASF SE (DE) 2012-01-26 US disclosed
US-20110297235-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES BASF SE (DE) 2011-12-08 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-20110297235-A1 USE OF TRIARYLAMINE DERIVATIVES AS HOLE-CONDUCTING MATERIALS IN ORGANIC SOLAR CELLS AND ORGANIC SOLAR CELLS CONTAINING SAID TRIARYLAMINE DERIVATIVES NR2E3, NR0B2, AHR TDP1 2814/4885ALDH1A1 1407/4885CYP3A4 703/4885

“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.