SCHEMBL3567460

SCHEMBL3567460

COC(=O)c1cc(OC)c2cc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49
TUBA1A Q71U36 3/20 0.49
TUBA1C Q9BQE3 3/20 0.49
TUBB6 Q9BUF5 3/20 0.49
TUBB2B Q9BVA1 3/20 0.49
TUBB1 Q9H4B7 3/20 0.49
MAPT P10636 1/20 0.46
NPC1 O15118 1/20 0.45
KIF11 P52732 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL11450490 0.87 NPC1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27205438 0.86 CA12 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16450051 0.86 LMNA (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16759765 0.85 ULK1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15297504 0.85 HSD17B2 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2962999 0.85 CREBBP (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3578858 0.83 NPC1 (0.46) NPC1KIF11CREBBPKMT2AKDM4E
SCHEMBL6418376 0.83 NR4A2 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3578888 0.83 LMNA (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20875014 0.81 NR4A2 (0.46) NPC1KIF11CREBBPALDH1A1CA12

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
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 TUBB4A 2112/4885TUBB 2077/4885TUBA3C 3236/4885

“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.