SCHEMBL4652963

SCHEMBL4652963

Cc1nc(C(F)(F)F)ccc1C(=O)OC1=CC(=O)C2CCC1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE2A O00408 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 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
SCHEMBL4652962 1.00 LMNA (0.38) LMNAGAANPC1RAB9APDE2A
SCHEMBL6379396 0.82 KDM4E (0.33) GAA
SCHEMBL6379398 0.82 KDM4E (0.33) GAA
SCHEMBL5775466 0.81 IDH1 (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1201585 0.81 IDH1 (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1201584 0.80
SCHEMBL6382954 0.79 ABL1 (0.35)
SCHEMBL414425 0.76
SCHEMBL1133427 0.74 LMNA (0.43) LMNAGAANPC1RAB9APDE2A
SCHEMBL420758 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352901-B1 Process for the preparation of cyclic diketones SYNGENTA PARTICIPATIONS AG (CH) 2008-10-01 EP disclosed
US-7135574-B2 Converting substituted mono or bicyclic lactones in presence of an amine base and a catalytic amount of a cyanide or alkali or alkaline metal alcoholate, to a salt, reacting the salt with carbonyl compound containing an organic substituent SYNGENTA CROP PROTECTION, INC. (US) 2006-11-14 US disclosed
US-20050159314-A1 Process for the preparation of cyclic diketones SCHNEIDER HERMANN (CH) 2005-07-21 US disclosed
EP-1114030-B1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-01 EP disclosed
EP-1250047-B9 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2005-05-18 EP disclosed
US-6890885-B2 Herbicidal composition SYNGENTA CORP PROTECTION, INC. (US) 2005-05-10 US disclosed
EP-1520472-A2 Herbicidal compositions comprising pyridoyl-1,3-cyclodiones Syngenta Participations AG (CH) 2005-04-06 EP disclosed
EP-1250047-B1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2005-03-16 EP disclosed
US-6855831-B2 Process for the preparation of cyclic diketones SYNGENTA CROP PROTECTION, INC. (US) 2005-02-15 US disclosed
US-20040106519-A1 Herbicidal composition SYNGENTA CROP PROTECTION, INC. 2004-06-03 US disclosed
US-20030199708-A1 Process for the preparation of cyclic diketones SYNGENTA CROP PROTECTION, INC. 2003-10-23 US disclosed
EP-1352901-A2 Process for the preparation of cyclic diketones Syngenta Participations AG (CH) 2003-10-15 EP disclosed
US-6498125-B2 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-12-24 US disclosed
EP-1250047-A2 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2002-10-23 EP disclosed
US-20020016345-A1 Pyridine ketones useful as herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-02-07 US disclosed
WO-2001054501-A2 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2001-08-02 WO disclosed
EP-1114030-A1 PYRIDINE KETONES USEFUL AS HERBICIDES Syngenta Participations AG (CH) 2001-07-11 EP disclosed
WO-2000015615-A1 PYRIDINE KETONES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-03-23 WO 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 (4 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-20040106519-A1 Herbicidal composition DDT, ACHE, CYP1B1 LMNA 4519/4885GAA 561/4885NPC1 4467/4885
US-20030199708-A1 Process for the preparation of cyclic diketones XDH, NDUFS6, SQOR LMNA 1282/4885GAA 402/4885NPC1 2439/4885
US-20020016345-A1 Pyridine ketones useful as herbicides DDT, PDHA1, IDH2 LMNA 4284/4885GAA 721/4885NPC1 4388/4885
US-20050159314-A1 Process for the preparation of cyclic diketones NDUFS6, NDUFS4, NDUFV1 LMNA 815/4885GAA 508/4885NPC1 2575/4885

“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.