SCHEMBL788550

SCHEMBL788550

c1ccc(-c2ccc(-c3ccc4sc5c(-c6ccc7[nH]c8ccc(-c9cc(-c%10ccc(-c%11ccccc%11)cc%10)cc%10c9sc9ccc(-c%11ccc(-c%12ccccc%12)cc%11)cc9%10)cc8c7c6)cc(-c6ccc(-c7ccccc7)cc6)cc5c4c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.43
PIM3 Q86V86 4/20 0.42
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
PIM1 P11309 4/20 0.40
PIM2 Q9P1W9 3/20 0.40
TNKS2 Q9H2K2 2/20 0.40
TNKS O95271 1/20 0.40
JAK2 O60674 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRA6 Q16445 2/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL786979 1.00 LIMK1 (0.43) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL786981 0.97 LIMK1 (0.41) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL10227377 0.96 LIMK1 (0.40) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL10227353 0.96 LIMK1 (0.40) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL10227355 0.94 LIMK1 (0.39) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL789896 0.92 LIMK1 (0.41) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL788520 0.91 AHR (0.41) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL788701 0.90 TNKS (0.39) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL788260 0.90 CDK4 (0.40) LIMK1PIM3CDK4CCND1PIM1
SCHEMBL30258311 0.88 LIMK1 (0.47) LIMK1PIM3PIM1PIM2TNKS2

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-9450188-B2 Carbazole derivative, light-emitting element material and organic semiconductor material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-09-20 US disclosed
US-20140145175-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-05-29 US disclosed
US-8642782-B2 Carbazole derivative, light-emitting element material and organic semiconductor material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-02-04 US disclosed
US-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-22 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-20120071668-A1 Carbazole Derivative, Light-Emitting Element Material and Organic Semiconductor Material SLC39A3, SULT1A1, NUTF2 LIMK1 3472/4885PIM3 2594/4885CDK4 194/4885

“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.