SCHEMBL4344291

SCHEMBL4344291

CC(C)(C)c1ccc([C]2CC2(Cl)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.43
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ TYR P14679 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ XDH P47989 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FGF23 Q9GZV9 1/20 0.34
▸ MGAT2 Q10469 1/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ AKR1C2 P52895 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
SCHEMBL3423876 0.72 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL26915 0.72 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL1931781 0.70 KIF11 (0.67) KIF11TSHRLMNATYRHTR1D
SCHEMBL27479476 0.70 NISCH (0.39) KIF11LMNATYRNISCHNPC1
SCHEMBL4337817 0.70 CA1 (0.48) NISCHNPC1RAB9AKDM4ETP53
SCHEMBL424728 0.69 TSHR (0.73) KIF11TSHRLMNATYRNPC1
SCHEMBL24390273 0.67 KIF11 (0.56) KIF11TSHRLMNATYRNPC1
SCHEMBL2882525 0.67 KIF11 (0.50) KIF11TSHRLMNATYRHTR1D
SCHEMBL5049965 0.67 KIF11 (0.56) KIF11TSHRLMNATYRNPC1
SCHEMBL27409319 0.67 KIF11 (0.56) KIF11TSHRLMNATYRHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 — — US 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-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-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 (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 KIF11 3377/4885TSHR 297/4885LMNA 1235/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL KIF11 3041/4885TSHR 406/4885LMNA 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.

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