SCHEMBL4331066

SCHEMBL4331066

CC1(C)C[C]1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM1A O60341 3/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33

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
SCHEMBL9091607 0.72 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL3807298 0.72 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ALMNAHPGD
SCHEMBL9090930 0.72 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL14974596 0.69 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ATSHRMAOA
SCHEMBL14974920 0.69 ALDH1A1 (0.38) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL31678744 0.66 NPC1 (0.51) ALDH1A1NPC1RAB9ALMNAHPGD
Biphenyl SCHEMBL10610825 0.65 ALDH1A1 (0.69) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL21242653 0.65 NPC1 (0.43) ALDH1A1NPC1RAB9ALMNAHPGD
Biphenyl SCHEMBL653702 0.64 ALDH1A1 (0.82) ALDH1A1NPC1RAB9ALMNAMAPT
Biphenyl SCHEMBL1358618 0.63 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ALMNAMAPT

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 23 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
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
US-5563168-A FUNGICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-10-08 US disclosed
US-5194662-A Insecticides, fungicides for plants BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 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-20030216394-A1 Etylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL ALDH1A1 357/4885NPC1 4628/4885RAB9A 2164/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL ALDH1A1 963/4885NPC1 4551/4885RAB9A 3171/4885

“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.