SCHEMBL4322138

SCHEMBL4322138

CC(C)Oc1ccc([C]2CC2(Cl)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ PTPN5 P54829 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ACACA Q13085 1/20 0.36
▸ GLA P06280 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL4337817 0.78 CA1 (0.48) —
SCHEMBL197284 0.76 ALDH1A3 (0.56) ALDH1A3KMT2APARP10PTPN5NOTUM
SCHEMBL27479476 0.74 NISCH (0.39) KMT2APTPN5NOTUMPOLB
SCHEMBL125543 0.73 ALDH1A3 (0.64) ALDH1A3KMT2APARP10PTPN5NOTUM
SCHEMBL4335863 0.73 NQO1 (0.54) KMT2ATSHRALDH1A1
SCHEMBL5315410 0.73 SLC6A2 (0.38) KMT2ATSHR
SCHEMBL14817450 0.70 ACACB (0.59) ALDH1A3KMT2APARP10PTPN5NOTUM
Hydrogen Peroxide SCHEMBL28902806 0.69 KMT2A (0.70) ALDH1A3KMT2APARP10PTPN5POLB
SCHEMBL21202067 0.69 ESR2 (0.54) ALDH1A3KMT2APARP10PTPN5ACACB
SCHEMBL8364605 0.69 KMT2A (0.49) ALDH1A3KMT2APARP10PTPN5NOTUM

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
EP-1824483-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-08-29 — — EP claimed
WO-2006050239-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-05-11 — — WO claimed
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
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
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 ALDH1A3 1576/4885KMT2A 2580/4885PARP10 3457/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL ALDH1A3 1878/4885KMT2A 3127/4885PARP10 3790/4885

“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.

Send feedback