SCHEMBL2989232

SCHEMBL2989232

Cc1ccc(N(c2ccc3ccccc3c2)c2cc3c4ccccc4c(N(c4ccc(C)c(C)c4)c4ccc5ccccc5c4)cc3c3ccccc23)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
CYP2A6 P11509 4/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
ALDH1A1 P00352 3/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1376567 0.91 CYP1A2 (0.38) CYP1A2CYP2A6TSHRNPSR1ALDH1A1
SCHEMBL13775286 0.89 ESR1 (0.33) CYP1A2CYP2A6TSHRNPSR1PKM
SCHEMBL2323159 0.89 HPRT1 (0.38) CYP1A2CYP2A6TSHRHTTNPSR1
SCHEMBL29555328 0.89 HPRT1 (0.38) CYP1A2CYP2A6TSHRHTTNPSR1
SCHEMBL13775184 0.88 HTT (0.34) CYP1A2CYP2A6TSHRHTTNPSR1
SCHEMBL13024029 0.86 HTT (0.46) CYP1A2CYP2A6TSHRHTTNPSR1
SCHEMBL20115617 0.86 CYP1A2 (0.39) CYP1A2CYP2A6NPSR1MAPTS1PR1
SCHEMBL18978244 0.86 S1PR1 (0.36) CYP1A2NPSR1L3MBTL1TDP1ALDH1A1
SCHEMBL12887593 0.85 CYP2A6 (0.39) CYP1A2CYP2A6TSHRHTTNPSR1
SCHEMBL23334227 0.84 MAPT (0.37) CYP1A2CYP2A6TSHRNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058478-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-8058478-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2011-11-15 US disclosed
US-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-02-10 US disclosed
US-7816017-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-10-19 US disclosed
US-7816017-B2 Aromatic amine derivative and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2010-10-19 US disclosed
US-20100181555-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY IDEMITSU KOSAN CO., LTD. (JP) 2010-07-22 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 (2 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-20110034733-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME TYR, DDC, EML4 CYP1A2 1093/4885CYP2A6 2958/4885TSHR 4212/4885
US-20100181555-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY AFF4, CLIC4, L1CAM CYP1A2 1454/4885CYP2A6 4584/4885TSHR 1322/4885

“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.