SCHEMBL4339852

SCHEMBL4339852

CC1(C)C[C]1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.43
PTGS2 P35354 3/20 0.43
LMNA P02545 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.37
ALPL P05186 1/20 0.37
AHR P35869 1/20 0.36
PGR P06401 1/20 0.35
ALOX5 P09917 1/20 0.35
ELANE P08246 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4331066 0.74 ALDH1A1 (0.42) LMNAKMT2AMAPT
SCHEMBL28215 0.67 CYP1A2 (0.73) LMNACYP2A6CYP1A2AHRALOX5
SCHEMBL11165087 0.67 CYP1A2 (0.73) LMNACYP2A6CYP1A2AHRALOX5
SCHEMBL3952742 0.67 CYP1A2 (0.73) LMNACYP2A6CYP1A2AHRALOX5
SCHEMBL29279317 0.67 LMNA (0.42) PTGS1PTGS2LMNACYP2A6CYP1A2
SCHEMBL24794797 0.66 PGR (0.44) CYP1A2AHRPGRALOX5
SCHEMBL24794216 0.66 RARA (0.54) PGR
SCHEMBL24794223 0.66 RARA (0.54) PGR
SCHEMBL24795395 0.66 PGR (0.44) CYP1A2AHRPGRALOX5
Methyl Alcohol SCHEMBL28374011 0.66 CYP1A2 (0.61) LMNACYP2A6CYP1A2MEN1KMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101817784-B Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES CO., LTD. (JP) 2012-02-01 CN disclosed
CN-101817784-A Ethene derivatives and the pesticides that contains this derivative NISSAN CHEMICAL IND LTD 2010-09-01 CN 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
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
CN-1763003-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 2006-04-26 CN disclosed
CN-1227229-C Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 2005-11-16 CN disclosed
CN-1141300-C Acrylonitrile compounds �ղ���ѧ��ҵ��ʽ���� 2004-03-10 CN disclosed
US-20030216394-A1 Etylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-20 US 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
CN-1333759-A Acrylonitrile compounds NISSAN CHEMICAL IND LTD (JP) 2002-01-30 CN 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
CN-1216530-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 1999-05-12 CN 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 (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-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL PTGS1 625/4885PTGS2 1295/4885LMNA 1235/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL PTGS1 641/4885PTGS2 1379/4885LMNA 1225/4885

“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.