SCHEMBL126380

SCHEMBL126380

Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.37
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 3/20 0.34
TYMS P04818 1/20 0.33
KDM1A O60341 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP3A4 P08684 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
PTGER1 P34995 1/20 0.31
GRIN2B Q13224 1/20 0.31
TOP1 P11387 1/20 0.30

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
SCHEMBL13304039 0.93 ALDH1A1 (0.39) ALDH1A1TSHRKIF11KDM1AOPRM1
SCHEMBL18353234 0.89 DHFR (0.39) DHFRKIF11TYMSKDM1ATOP1
SCHEMBL17117426 0.89 ALDH1A1 (0.36) ALDH1A1TSHRKIF11KDM1AOPRM1
SCHEMBL29444797 0.89 CYP2C19 (0.37) ALDH1A1TSHRCYP3A4
SCHEMBL1753824 0.89 CYP2C19 (0.37) ALDH1A1TSHRCYP3A4
SCHEMBL22746698 0.89 CYP2C19 (0.37) ALDH1A1TSHRCYP3A4
SCHEMBL10066733 0.89 CYP2C19 (0.37) ALDH1A1TSHRCYP3A4
SCHEMBL12575643 0.88 KIF11 (0.40) DHFRKIF11TYMSKDM1ATOP1
SCHEMBL124626 0.87 NR1H2 (0.33) DHFRKIF11
SCHEMBL126711 0.86 PDE2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785846-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2023-10-10 US disclosed
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-09-07 US disclosed
US-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-01-05 US disclosed
US-20140346406-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT COMPOUNDS ROHM & HAAS ELECT MAT (KR) 2014-11-27 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 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 (4 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-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SLC9B2, SLC26A3 DHFR 4861/4885ALDH1A1 1018/4885TSHR 4678/4885
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 DHFR 1617/4885ALDH1A1 61/4885TSHR 4468/4885
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME HTT, VDAC1, VAPA DHFR 2076/4885ALDH1A1 2507/4885TSHR 4658/4885
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SOD1, SLC9B2 DHFR 4853/4885ALDH1A1 1230/4885TSHR 4696/4885

“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.