SCHEMBL10135974

SCHEMBL10135974

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ACP3 P15309 1/20 0.35
CYP2A6 P11509 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL1840313 1.00 SIGMAR1 (0.45) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL10029983 1.00 SIGMAR1 (0.45) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL13854489 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL12280969 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL14069693 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL804913 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL13854468 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL14018321 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL22876538 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL17930281 0.98 SIGMAR1 (0.44) SIGMAR1ALDH1A1HPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 US disclosed
US-8883324-B2 Aromatic amine derivative and organic electroluminescent device using same IDEMITSU KOSAN CO., LTD. (JP) 2014-11-11 US disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 US disclosed
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. 2012-11-29 US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 US disclosed
US-20120228594-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-09-13 US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-19 US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 US disclosed
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-10 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 (3 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-20120184776-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 SIGMAR1 2116/4885ALDH1A1 578/4885HPGD 3859/4885
US-20120302793-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME NAT1, AFF1, AOC2 SIGMAR1 468/4885ALDH1A1 103/4885HPGD 3854/4885
US-20120112176-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME EML4, DDC, ALKBH2 SIGMAR1 2138/4885ALDH1A1 645/4885HPGD 3913/4885

“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.