SCHEMBL18199815

SCHEMBL18199815

c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3S4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 1/20 0.35
MEN1 O00255 1/20 0.33
CRHBP P24387 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL16787251 0.95 ALDH1A1 (0.34) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16787269 0.94 KDM4E (0.33) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16787292 0.92 DRD2 (0.33) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL22180138 0.91 AHR (0.36) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16787277 0.84 KDM4E (0.33) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16787291 0.83 CA12 (0.34) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16166569 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16787332 0.82
SCHEMBL16166918 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16166685 0.81 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9634260-B2 Method for preparing conjugated compound having phenoxathiin and electron donating group of conjugated aromatic unit, and OLED device having the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-04-25 US disclosed
US-9634260-B2 Method for preparing conjugated compound having phenoxathiin and electron donating group of conjugated aromatic unit, and OLED device having the conjugated compound SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2017-04-25 US disclosed
US-20160322584-A1 CONJUGATED COMPOUND HAVING PHENOXATHIINL, METHOD FOR PREPARING THE SAME AND OLED DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 US disclosed
US-20160322584-A1 CONJUGATED COMPOUND HAVING PHENOXATHIINL, METHOD FOR PREPARING THE SAME AND OLED DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-11-03 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-20160322584-A1 CONJUGATED COMPOUND HAVING PHENOXATHIINL, METHOD FOR PREPARING THE SAME AND OLED DEVICE AOC2, OCIAD2, AOX1 ALDH1A1 1133/4885L3MBTL1 3788/4885KDM4E 3510/4885

“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.