SCHEMBL431838

SCHEMBL431838

c1ccc(-c2cccc(-c3cccc4c3sc3c(-c5ccccc5-c5ccccc5-c5cccc6c5sc5c(-c7cccc(-c8ccccc8)c7)cccc56)cccc34)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
LIMK1 P53667 1/20 0.45
MAP3K8 P41279 5/20 0.40
PTGER1 P34995 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
SMAD3 P84022 1/20 0.39

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
SCHEMBL21157788 0.94 ALOX5 (0.49) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL17052845 0.94 ALOX5 (0.53) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL18435656 0.93 ALOX5 (0.51) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL22174876 0.91 LIMK1 (0.50) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL22174871 0.91 LIMK1 (0.50) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL22174872 0.91 LIMK1 (0.50) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL22174860 0.91 LIMK1 (0.50) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL22174858 0.91 LIMK1 (0.50) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL21157899 0.89 LIMK1 (0.42) ALOX5LIMK1MAP3K8PTGER1PTGER4
SCHEMBL21156611 0.89 LIMK1 (0.42) ALOX5LIMK1MAP3K8PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406893-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-20140299861-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2014-10-09 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-8790794-B2 Heterocyclic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-29 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 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-20120061651-A1 Heterocyclic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device CYP2J2, CYP1A1, CRY1 ALOX5 2991/4885LIMK1 1364/4885MAP3K8 3647/4885

“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.