SCHEMBL896817

SCHEMBL896817

[O]C(=O)NC1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 1/20 0.67
KDM4E B2RXH2 1/20 0.67
EPHX2 P34913 1/20 0.67
MMP2 P08253 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MMP8 P22894 1/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.54
MAPK1 P28482 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54

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
SCHEMBL7963535 1.00 EPHX1 (0.67) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL896741 0.97
SCHEMBL897213 0.92
SCHEMBL897460 0.85
SCHEMBL11512946 0.81 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11777198 0.81 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3896507 0.81 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23960132 0.80 EPHX1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23736058 0.80 NPC1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3076504 0.80 NPC1 (1.00) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177979-A Cyclic dibenzyl tetrahydroisoquinoline compound and preparation method and application thereof 中国科学院上海药物研究所 2023-12-05 CN claimed
WO-2023104213-A1 CYCLIC BISBENZYL TETRAHYDROISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-06-15 WO claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US claimed
EP-0251114-B1 THIENOTHIOPHENE DYES BASF Aktiengesellschaft (DE) 1990-05-02 EP claimed
US-4904777-A COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1990-02-27 US claimed
EP-0169483-B1 HETEROCYCLIC AZO DYES BASF Aktiengesellschaft (DE) 1989-11-15 EP claimed
US-4843153-A Azo dyes containing thienothiophene radicals as radicals of the diazo component BASF AKTIENGESELLSCHAFT (DE) 1989-06-27 US claimed
US-4837269-A FIBER-REACTIVE DISAZO DYES BASF AKTIENGESELLSCHAFT (DE) 1989-06-06 US claimed
US-4668775-A POLYESTERS, NYLON, CELLULOSE ESTERS, FIBERS, BLUE BASF AKTIENGESELLSCHAFT (DE) 1987-05-26 US claimed
US-4619992-A IMPROVED COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US claimed
US-4496480-A Isothiazolazo dyes having coupling components which are free from unsaturated aliphatic radicals BASF AKTIENGESELLSCHAFT (DE) 1985-01-29 US claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS EPHX1 509/4885NPC1 4598/4885SMN1; SMN2 4626/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD EPHX1 1860/4885NPC1 3919/4885SMN1; SMN2 4550/4885
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES DDT, HPD, PAH EPHX1 1221/4885NPC1 4854/4885SMN1; SMN2 4857/4885

“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.