SCHEMBL4323972

SCHEMBL4323972

CCNC1CCC(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 4/20 0.37
EPHX1 P07099 1/20 0.37
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
FUCA1 P04066 1/20 0.32
NSD2 O96028 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LTA4H P09960 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADRA2A P08913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL10296875 1.00 KCNH2 (0.44) KCNH2ALDH1A1EPHX1POLBRECQL
SCHEMBL25466800 0.89 KCNH2 (0.38) KCNH2ALDH1A1EPHX1
SCHEMBL1142602 0.88 KCNH2 (0.52) KCNH2EPHX1FUCA1NSD2KDM4E
SCHEMBL549384 0.88
SCHEMBL25042763 0.88 KCNH2 (0.52) KCNH2EPHX1FUCA1NSD2KDM4E
Hydrochloric Acid SCHEMBL28286507 0.85
Ammonia Solution, Strong SCHEMBL3924276 0.85
Hydrochloric Acid SCHEMBL1643106 0.85
SCHEMBL18813878 0.84
SCHEMBL18687346 0.84

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4144780-B1 SULFONIC ACID-MODIFIED POLYISOCYANATE AND PREPARATION METHOD THEREFOR WANHUA CHEMICAL GROUP CO LTD (CN) 2025-12-24 EP claimed
WO-2022257585-A1 SULFONIC ACID-MODIFIED POLYISOCYANATE AND PREPARATION METHOD THEREFOR 万华化学集团股份有限公司 2022-12-15 WO claimed
WO-2023219521-A1 NEW 2-(DIETHYLAMINO)-4,6-DIPHENYLBENZENE-1,3-CARBONITRILE DERIVATIVES, METHOD OF THEIR PRODUCTION, THEIR USE AND NEW PHOTOINITIATING SYSTEMS FOR PHOTOINITIATED CATIONIC, RADICAL, THIOL-ENE AND HYBRID POLYMERIZATION Politechnika Krakowska im. Tadeusza Kościuszki (PL) 2023-11-16 WO disclosed
WO-2022081967-A1 MALT1 MODULATORS AND USES THEREOF RHEOS MEDICINES, INC. (US) 2022-04-21 WO disclosed
US-20220024891-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-27 US disclosed
EP-3668880-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-10-06 EP disclosed
US-20200216467-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-07-09 US disclosed
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 WO disclosed
WO-2019034725-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2019-02-21 WO disclosed
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-10-05 US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 US 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
EP-0826674-A1 NOVEL PYRIMIDINE DERIVATIVES EFFICACIOUS AS PSYCHOTROPIC DRUG AND PROCESS FOR THE PRODUCTION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-03-04 EP disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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 (4 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-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY ATP6V1B2, FABP7, GHSR KCNH2 2590/4885ALDH1A1 4000/4885EPHX1 3545/4885
US-20220024891-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER APC, VHL, KRAS KCNH2 3956/4885ALDH1A1 3985/4885EPHX1 4165/4885
US-20170281732-A1 METHODS OF TREATING MILD BRAIN INJURY ATP6V1B2, GHSR, CRH KCNH2 2931/4885ALDH1A1 3892/4885EPHX1 2699/4885
US-20200216467-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, IDO1, TDO2 KCNH2 4323/4885ALDH1A1 554/4885EPHX1 1404/4885

“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.