SCHEMBL4329010

SCHEMBL4329010

CC(C)(C)c1ccc([C]2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
KIF11 P52732 4/20 0.45
TSHR P16473 1/20 0.42
FGF23 Q9GZV9 1/20 0.42
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
HK1 P19367 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4C Q9H3R0 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
SCHEMBL5146558 0.98 KIF11 (0.46) SLC6A2KIF11TSHRFGF23LMNA
SCHEMBL5144847 0.93 FGF23 (0.47) SLC6A2KIF11TSHRFGF23LMNA
SCHEMBL2882525 0.88 KIF11 (0.50) SLC6A2KIF11TSHRFGF23LMNA
SCHEMBL5146537 0.77 KIF11 (0.48) KIF11TSHRNISCHKDM4E
SCHEMBL2874345 0.75 KIF11 (0.50) SLC6A2KIF11SIGMAR1
SCHEMBL5147795 0.74 KIF11 (0.50) KIF11TSHRNISCHKDM4E
SCHEMBL3423876 0.74 KIF11 (0.70) KIF11TSHRLMNATYRSMN1; SMN2
SCHEMBL26915 0.74 KIF11 (0.70) KIF11TSHRLMNATYRSMN1; SMN2
SCHEMBL10703006 0.73 HPGD (0.46) LMNASMN1; SMN2NISCHMAPTTDP1
SCHEMBL22418954 0.72 ACMSD (0.42) SLC6A2KIF11TSHRFGF23LMNA

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 22 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
CN-101472924-A KV1.5 potassium channel inhibitors WYETH CORP (US) 2009-07-01 CN disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 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
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
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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 SLC6A2 2171/4885KIF11 862/4885TSHR 1447/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL SLC6A2 4552/4885KIF11 3041/4885TSHR 406/4885

“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.