SCHEMBL4337820

SCHEMBL4337820

COc1ccc(C2CC2(Cl)Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ LMNA P02545 3/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAOB P27338 3/20 0.47
▸ KDM1A O60341 2/20 0.47
▸ MAOA P21397 2/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL13888944 0.81 MAOB (0.50) MEN1RAB9AKMT2ACYP2C9ALDH1A1
SCHEMBL12188964 0.81 MAOB (0.50) MEN1RAB9AKMT2ACYP2C9ALDH1A1
SCHEMBL27954207 0.80 LMNA (0.48) MEN1RAB9AKMT2ALMNACYP2C9
SCHEMBL11718044 0.80 MAOB (0.46) MEN1RAB9AKMT2ALMNACYP2C9
SCHEMBL27771288 0.79 MAOA (0.47) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL26933019 0.79 MAOB (0.53) MEN1RAB9AKMT2AALDH1A1MAPT
SCHEMBL5315412 0.79 LMNA (0.67) MEN1RAB9AKMT2ALMNACYP2C9
SCHEMBL4335866 0.79 NQO1 (0.52) MEN1RAB9AKMT2ALMNACYP2C9
SCHEMBL5318531 0.79 LMNA (0.50) MEN1RAB9AKMT2ALMNACYP2C9
SCHEMBL6427362 0.76 LMNA (0.59) MEN1RAB9AKMT2ALMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 — — US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 — — US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 — — US disclosed
WO-2007100161-A1 METHOD FOR PREFERENTIAL PRODUCTION OF GEOMETRIC ISOMERS AND ISOLATION METHOD NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-07 — — WO disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 — — WO disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 — — US disclosed
US-7037880-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 — — US disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 — — US disclosed
EP-1360901-A1 2,3-cyclic substituted derivatives of 3-hydroxyacrolein and 3-hydroxyacrylic acid as pesticides NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2003-11-12 — — EP disclosed
US-6642234-B1 Insecticides, acaricides, nematocides, herbicides and fungicides, NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-04 — — US disclosed
US-RE38188-E1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 — — US disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 — — EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 — — US disclosed
EP-1142882-A9 ACRYLONITRILE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2002-10-02 — — EP disclosed
EP-1142882-A1 ACRYLONITRILE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2001-10-10 — — EP disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 — — US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 — — EP 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 (3 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-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL MEN1 2462/4885RAB9A 2164/4885KMT2A 2580/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL MEN1 2568/4885RAB9A 3171/4885KMT2A 3127/4885
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 MEN1 3460/4885RAB9A 2115/4885KMT2A 3691/4885

“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.

Send feedback