SCHEMBL2790604

SCHEMBL2790604

CCCCCN(CCCCC)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP3A4 P08684 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
PSMD14 O00487 1/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
GFER P55789 1/20 0.53
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.41
TLR8 Q9NR97 1/20 0.40
ALOX15 P16050 1/20 0.39
BDKRB2 P30411 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL7121739 0.98 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL27461663 0.94 CYP3A4 (0.55) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL45791 0.94 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL1498858 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1154086 0.92 CYP3A4 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL7771003 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL3691300 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL6263019 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL28459289 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1
SCHEMBL294502 0.92 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1MAPK1L3MBTL1

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-20090026928-A1 PHENYLPHENOXAZINE OR PHENYLPHENOTHIAZINE- BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-01-29 US claimed
CN-113097402-A Organic electroluminescent device, preparation method thereof and display panel 京东方科技集团股份有限公司 2021-07-09 CN disclosed
US-7794858-B2 Phenylphenoxazine or phenylphenothiazine- based compound and organic electroluminescent device using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-09-14 US disclosed
US-20090026928-A1 PHENYLPHENOXAZINE OR PHENYLPHENOTHIAZINE- BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-01-29 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-20090026928-A1 PHENYLPHENOXAZINE OR PHENYLPHENOTHIAZINE- BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME TYR, MITF, PPOX ALDH1A1 2501/4885CYP3A4 344/4885TDP1 2532/4885

“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.