SCHEMBL4675666

SCHEMBL4675666

C[C](C)C(=O)OCC(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 1/20 0.38
P2RX4 Q99571 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL298254 0.86 TSHR (0.68) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL10010571 0.84 TSHR (0.67) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL10010574 0.84 TSHR (0.67) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL1373745 0.84 TSHR (0.67) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL11509921 0.81 TSHR (0.62) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL16048460 0.81 TSHR (0.62) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL24562 0.80 TSHR (1.00) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL19014668 0.80 TSHR (0.61) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL20061887 0.80 TSHR (0.61) TSHRALDH1A1RAB9AP2RX4TDP1
SCHEMBL5314281 0.79 TSHR (0.60) TSHRALDH1A1RAB9AP2RX4TDP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1112268-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-07-04 EP disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed
WO-2000015633-A1 CONDENSED HETEROCYLIC COMPOUNDS AND HERBICIDES CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-23 WO disclosed
US-5079258-A Enzyme inhibitors, antiallergens treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
US-4806551-A PLATELET AGGREGATION-INHIBITOR AND THROMBOXAN A2-ANTAGONIST BAYER AKTIENGESELLSCHAFT (DE) 1989-02-21 US disclosed
US-4771062-A ENZYME INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed
EP-0240680-A1 Diaryl sulfide derivatives BAYER AG (DE) 1987-10-14 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 (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-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO TSHR 1858/4885ALDH1A1 1340/4885RAB9A 2645/4885

“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.