SCHEMBL2097337

SCHEMBL2097337

CCCCCCOC[C]=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.48
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.45
LPAR5 Q9H1C0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
NAAA Q02083 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL9802054 1.00 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL10702206 1.00 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL4954643 1.00 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL10704056 1.00 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL10953427 1.00 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL10704481 1.00 CES2 (0.48) CES2HTTMEN1THRBKMT2A
SCHEMBL173320 0.98
SCHEMBL1145474 0.90
SCHEMBL28057943 0.88 FAAH (0.48) LPAR1LPAR3LPAR2
SCHEMBL23174998 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787135-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1997-08-06 EP claimed
WO-1996012727-A1 WATER-SOLUBLE EPIPODOPHYLLOTOXIN DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF AS A DRUG AND FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
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
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
CN-1313280-A Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-19 CN disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 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 (5 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-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HAX1, CYP4X1, CANX CES2 91/4885HTT 1296/4885MEN1 3838/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B CES2 3686/4885HTT 1457/4885MEN1 1227/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CES2 2243/4885HTT 4689/4885MEN1 4525/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX CES2 91/4885HTT 1296/4885MEN1 3838/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 CES2 74/4885HTT 1266/4885MEN1 4096/4885

“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.