SCHEMBL9951046

SCHEMBL9951046

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5sc5ccccc56)c4)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
PTPN1 P18031 2/20 0.35
HSD17B1 P14061 3/20 0.34
HSD17B2 P37059 3/20 0.34
LIMK1 P53667 1/20 0.33
NQO1 P15559 1/20 0.33
NQO2 P16083 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
F9 P00740 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
PTPRC P08575 1/20 0.32

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
SCHEMBL27012131 0.90 ALOX5 (0.41) ALOX5PTPN1HSD17B1HSD17B2LIMK1
SCHEMBL19077284 0.87 NQO1 (0.33) ALOX5PTPN1LIMK1NQO1NQO2
SCHEMBL19103061 0.86 PTPN1 (0.37) ALOX5PTPN1HSD17B1HSD17B2LIMK1
SCHEMBL17931894 0.86 PTPN1 (0.40) ALOX5PTPN1NQO1NQO2TNKS
SCHEMBL18267023 0.84 ALOX5 (0.39) ALOX5PTPN1LIMK1NQO1NQO2
SCHEMBL22706277 0.84 ALOX5 (0.41) ALOX5PTPN1LIMK1NQO1NQO2
SCHEMBL22708226 0.84 ALOX5 (0.40) ALOX5PTPN1LIMK1NQO1NQO2
SCHEMBL24877070 0.83 LIMK1 (0.35) ALOX5PTPN1HSD17B1HSD17B2LIMK1
SCHEMBL19197073 0.83 MEN1 (0.42) ALOX5PTPN1LIMK1NQO1NQO2
SCHEMBL17383118 0.82 ALOX5 (0.39) ALOX5PTPN1HSD17B1HSD17B2LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674117-B2 Organoboron compound and method for manufacturing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-18 US disclosed
US-8674117-B2 Organoboron compound and method for manufacturing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-18 US disclosed
US-8674117-B2 Organoboron compound and method for manufacturing the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-03-18 US disclosed
US-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 US disclosed
US-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-06-28 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-20120165550-A1 Organoboron Compound and Method for Manufacturing the Same CYP2B6, CBR3, CBR1 ALOX5 3059/4885PTPN1 3483/4885HSD17B1 128/4885

“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.