SCHEMBL16623776

SCHEMBL16623776

c1ccc2c(c1)c1cccc3c1c1c(cccc21)N1c2cccc4c5ccccc5c5cccc(c5c24)C31

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TERT O14746 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
KCNA3 P22001 1/20 0.31

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
SCHEMBL16623775 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL16623788 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL16623792 0.73
SCHEMBL16623771 0.73 GPR3 (0.41) ALDH1A1CYP1A2KCNA3
SCHEMBL16623773 0.72
SCHEMBL16623702 0.67 GPR3 (0.50) ALDH1A1CYP1A2KCNA3
SCHEMBL2538508 0.65 CYP1A2 (0.65) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL29511306 0.65 CYP1A2 (0.65) ALDH1A1CYP1A2THRBHPGDHSD17B10
SCHEMBL16623758 0.64 GPR3 (0.43) ALDH1A1CYP1A2KCNA3
SCHEMBL16623768 0.64 GPR3 (0.43) ALDH1A1CYP1A2KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-9741950-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2017-08-22 US disclosed
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND SK MATERIALS JNC CO., LTD. (KR) 2016-02-18 US disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 ALDH1A1 2463/4885CYP1A2 2204/4885THRB 4478/4885
US-20160049600-A1 POLYCYCLIC AROMATIC COMPOUND BICRA, PAH, SMARCC2 ALDH1A1 1610/4885CYP1A2 483/4885THRB 4057/4885

“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.