SCHEMBL825800

SCHEMBL825800

C=Cc1cccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6cccc(C)c6)c6cccc(C=C)c6)cc5)cc4)cc3)cc2)c2cccc(C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
TP53 P04637 1/20 0.58
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
PTGS2 P35354 2/20 0.38
NPC1 O15118 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
ACHE P22303 1/20 0.33
NR1H4 Q96RI1 3/20 0.33
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RELA Q04206 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
SCHEMBL12715066 0.97 TDP1 (0.54) TDP1TP53HSD17B1HSD17B2PTGS2
SCHEMBL14548354 0.92 TP53 (0.59) TDP1TP53HSD17B1HSD17B2PTGS2
SCHEMBL12858352 0.92 TDP1 (0.59) TDP1TP53NPC1CASP3SENP8
SCHEMBL2602506 0.92 TDP1 (0.50) TDP1TP53HSD17B1HSD17B2PTGS2
SCHEMBL12084044 0.90 TP53 (0.66) TDP1TP53HSD17B1HSD17B2PTGS2
SCHEMBL5196214 0.90 TDP1 (0.44) TDP1TP53PTGS2TSHRALDH1A1
SCHEMBL16247990 0.89 TDP1 (0.47) TDP1TP53PTGS2NPC1NR1H4
SCHEMBL12757056 0.89 TDP1 (0.47) TDP1TP53HSD17B1HSD17B2PTGS2
SCHEMBL766100 0.89 TDP1 (0.47) TDP1TP53HSD17B1HSD17B2PTGS2
SCHEMBL12858654 0.89 TP53 (0.63) TDP1TP53HSD17B1HSD17B2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588527-B1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL IND LTD (JP) 2017-10-25 EP disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
WO-2012003485-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. (US) 2012-01-05 WO disclosed
WO-2012003482-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) PLEXTRONICS, INC. (US) 2012-01-05 WO 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-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) OCIAD2, OCIAD1, SLCO1B1 TDP1 3356/4885TP53 4548/4885HSD17B1 1142/4885

“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.