SCHEMBL2097764

SCHEMBL2097764

[CH2]OCCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.61
LMNA P02545 1/20 0.52
SIGMAR1 Q99720 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 2/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.46
NPC1 O15118 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45

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
SCHEMBL2096240 0.93 IDO1 (0.54) IDO1SIGMAR1MAOAMAOBFFAR1
SCHEMBL8496073 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL2095224 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL8500350 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL8496473 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL8499491 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL2090875 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL8499736 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL8499227 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB
SCHEMBL8498117 0.91 SIGMAR1 (0.52) IDO1SIGMAR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107286945-A Peanut Fields all-degradable liquid film and its preparation method and application 沈阳金尔露生物科技有限公司 2017-10-24 CN claimed
WO-2024005209-A1 1,4-CINEOLE DERIVATIVE AND INTERMEDIATE THEREOF, HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT, METHOD FOR USING HERBICIDE, AND METHOD FOR PREPARING AGROCHEMICAL COMPOSITION 北興化学工業株式会社 2024-01-04 WO disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
CN-115093408-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-09-23 CN disclosed
EP-3412663-B1 NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2022-09-07 EP disclosed
EP-4028130-A1 BENZYL AMINE-CONTAINING 5,6-HETEROAROMATIC COMPOUNDS USEFUL AGAINST MYCOBACTERIAL INFECTION Shionogi & Co., Ltd (JP) 2022-07-20 EP disclosed
CN-114401965-A Benzylamine-containing 5, 6-heteroaromatic compounds useful against mycobacterial infections 盐野义制药株式会社 2022-04-26 CN disclosed
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
CN-107428700-B 9-membered fused ring derivative 盐野义制药株式会社 2021-08-03 CN disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
EP-0601184-A1 FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP disclosed
EP-0558215-A1 Novel methods and compounds for the preparation of carbacephems ELI LILLY AND COMPANY (US) 1993-09-01 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
US-5128336-A Antibiotics ELI LILLY AND COMPANY (US) 1992-07-07 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0334590-A2 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1989-09-27 EP disclosed
US-4855418-A Process for production of ceophalosporins ELI LILLY AND COMPANY (US) 1989-08-08 US disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX IDO1 188/4885LMNA 2544/4885SIGMAR1 153/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 IDO1 103/4885LMNA 1667/4885SIGMAR1 394/4885

“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.