SCHEMBL4321920

SCHEMBL4321920

CCc1ccc([C]2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
TP53 P04637 2/20 0.43
EGFR P00533 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP2A6 P11509 1/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
METAP2 P50579 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GALR1 P47211 1/20 0.39
UCHL1 P09936 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL20272050 0.90 NISCH (0.41) NISCHTP53EGFRTAAR1CYP2A6
SCHEMBL27490573 0.90 NISCH (0.41) NISCHTP53EGFRTAAR1CYP2A6
SCHEMBL4323758 0.80 NISCH (0.47) NISCHLPLLIPGNPC1RAB9A
SCHEMBL2776957 0.80 TP53 (0.56) NISCHTP53EGFRTAAR1CYP2A6
SCHEMBL1702558 0.80 TP53 (0.56) NISCHTP53EGFRTAAR1CYP2A6
SCHEMBL36295 0.76 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL27676297 0.74 HRH3 (0.65) TAAR1CYP2A6
SCHEMBL7542835 0.73 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Sulfide SCHEMBL29290777 0.73 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL31498555 0.73 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG

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
EP-3370524-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-09-12 EP disclosed
WO-2017076742-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-11 WO disclosed
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
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 (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-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL NISCH 1514/4885TP53 2206/4885EGFR 1059/4885

“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.