SCHEMBL13525450

SCHEMBL13525450

CCc1ccc2cc(-c3ccc4c(c3)sc3c5ccc(-c6ccc7cc(CC)ccc7c6)cc5sc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ LIMK1 P53667 6/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ HRH3 Q9Y5N1 4/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL13525448 0.86 LIMK1 (0.43) LIMK1SMN1; SMN2NPC1RAB9APIM1
SCHEMBL20635997 0.83 LIMK1 (0.46) CYP1A2CYP2A6LIMK1SMN1; SMN2NPC1
SCHEMBL10031393 0.82 NPC1 (0.46) CYP1A2CYP2A6SMN1; SMN2NPC1RAB9A
SCHEMBL18470317 0.81 LIMK1 (0.47) LIMK1SMN1; SMN2PIM1PIM2PIM3
SCHEMBL18470287 0.79 LMNA (0.42) LIMK1PIM1PIM2PIM3
SCHEMBL1687688 0.79 NPC1 (0.43) CYP1A2CYP2A6SMN1; SMN2NPC1RAB9A
SCHEMBL14942991 0.78 CYP2A6 (0.46) CYP1A2CYP2A6LIMK1SMN1; SMN2NPC1
SCHEMBL16978711 0.78 RAB9A (0.44) CYP1A2CYP2A6SMN1; SMN2NPC1RAB9A
SCHEMBL19912100 0.78 CYP1A2 (0.44) CYP1A2CYP2A6LIMK1PIM1PIM2
SCHEMBL19912096 0.78 CYP1A2 (0.41) CYP1A2CYP2A6LIMK1PIM1PIM2

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-9029840-B2 Organic nanofiber structure based on self-assembled organogel, organic nanofiber transistor using the same, and method of manufacturing the organic nanofiber transistor SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-05-12 — — US disclosed
US-20130069040-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2013-03-21 — — US disclosed
US-8362464-B2 Organic nanofiber structure based on self-assembled organogel, organic nanofiber transistor using the same, and method of manufacturing the organic nanofiber transistor SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-01-29 — — US disclosed
US-20100006824-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-01-14 — — 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-20130069040-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR GAP43, NOTCH4, OGA CYP1A2 2249/4885CYP2A6 3156/4885LIMK1 1232/4885
US-20100006824-A1 ORGANIC NANOFIBER STRUCTURE BASED ON SELF-ASSEMBLED ORGANOGEL, ORGANIC NANOFIBER TRANSISTOR USING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC NANOFIBER TRANSISTOR GAP43, NOTCH4, OGA CYP1A2 2249/4885CYP2A6 3156/4885LIMK1 1232/4885

“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.

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