SCHEMBL40487

SCHEMBL40487

CCCCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
SIGMAR1 Q99720 3/20 0.59
MAPK1 P28482 2/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
HTR2A P28223 1/20 0.59
SCN1A P35498 1/20 0.59
HTR2B P41595 1/20 0.59
KCNH2 Q12809 1/20 0.59
SCN2A Q99250 1/20 0.59
SCN3A Q9NY46 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
KEAP1 Q14145 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
GNAI3 P08754 3/20 0.52
GNAO1 P09471 3/20 0.52
GNAI1 P63096 3/20 0.52

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
SCHEMBL5251269 1.00 ALDH1A1 (0.59) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL121880 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL1261589 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL1261592 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
Bromide SCHEMBL2347780 0.98 ALDH1A1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL1262440 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL11480929 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL10721706 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL351640 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2
SCHEMBL11479545 0.98 MAPK1 (0.58) ALDH1A1SIGMAR1MAPK1CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790981-B PVC plasticizer and preparation method thereof 克拉通聚合物研究有限公司 2024-01-12 CN claimed
CN-112075177-A Fertilizing method for grapes ripe twice a year 衡东县新旺种养农民专业合作社 2020-12-15 CN claimed
US-10750740-B2 Agricultural formulations with amides and acyl morpholines NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-08-25 US claimed
EP-3204453-B1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES LLC (US) 2019-08-28 EP claimed
US-9914790-B2 Low molecular weight graft polymer for scale inhibitor HERCULES LLC (US) 2018-03-13 US claimed
EP-3204453-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR Hercules LLC (US) 2017-08-16 EP claimed
EP-2782444-B1 AGRICULTURAL FORMULATIONS WITH AMIDES AND ACYL MORPHOLINES AKZO NOBEL CHEMICALS INT BV (NL) 2017-04-19 EP claimed
EP-2575446-B1 AGRICULTURAL FORMULATIONS WITH ACYL MORPHOLINES AND POLAR APROTIC CO-SOLVENTS AKZO NOBEL CHEMICALS INT BV (NL) 2016-04-20 EP claimed
WO-2016057299-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES INCORPORATED (US) 2016-04-14 WO claimed
US-20160096908-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR ISP INVESTMENTS LLC 2016-04-07 US claimed
WO-2011147822-A2 AGRICULTURAL FORMULATIONS WITH ACYL MORPHOLINES AND POLAR APROTIC CO-SOLVENTS AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2011-12-01 WO claimed
CN-101863856-A Bi(4-methyl-1,2,3-thiadiazole-5-phenurone) compounds and preparation method and application thereof LIER CHEMICAL CO LTD 2010-10-20 CN claimed
CN-101199274-A Bactericide composition and method for controlling plant disease ISHIHARA SANGYO KAISHA (JP) 2008-06-18 CN claimed
US-6031106-A Process and intermediate products for preparing pyridyl-4-fluoroanilines BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US claimed
EP-0805797-B1 PROCESS FOR PRODUCING N-ARYLHYDROXYLAMINES AND N-HETARYLHYDROXYLAMINES BASF AG (DE) 1999-04-07 EP claimed
US-5831093-A CATALYTIC HYDROGENATION OF NITRO COMPOUNDS BASF AKTIENGESESCHAFT (DE) 1998-11-03 US claimed
EP-0805797-A1 PROCESS FOR PRODUCING N-ARYLHYDROXYLAMINES AND N-HETARYLHYDROXYLAMINES BASF AKTIENGESELLSCHAFT (DE) 1997-11-12 EP claimed
WO-1996022967-A1 PROCESS FOR PRODUCING N-ARYLHYDROXYLAMINES AND N-HETARYLHYDROXYLAMINES BASF AKTIENGESELLSCHAFT (DE) 1996-08-01 WO claimed
US-3993581-A WITH A PHOSPHOLIPID AS EMULSIFIER AND A FATTY ACID, ALKALI METAL SALT OR ITS MONOGLYCERIDE AS AN ADJUVANT THE GREEN CROSS CORPORATION (JA) 1976-11-23 US claimed
US-3962439-A PERFLUOROCARBON COMPOUNDS THE GREEN CROSS CORPORATION (JA) 1976-06-08 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 (1 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-10750740-B2 Agricultural formulations with amides and acyl morpholines H1-5, H1-0, ACSS2 ALDH1A1 1111/4885SIGMAR1 346/4885MAPK1 2451/4885

“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.