SCHEMBL6967971

SCHEMBL6967971

C[C](c1ccc2ccccc2c1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
KLKB1 P03952 1/20 0.47
KLK1 P06870 1/20 0.47
PRSS1 P07477 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CASP3 P42574 1/20 0.45
GFER P55789 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5012402 0.81 NR4A1 (0.55) HPGDALDH1A1MAPTNR4A1NR4A2
SCHEMBL3255960 0.80 NR4A1 (0.58) HPGDALDH1A1MAPTNR4A1NR4A2
SCHEMBL28048462 0.80 DEGS1 (0.50) HPGDALDH1A1MAPTGFERNR4A1
SCHEMBL9856895 0.79 CDC25B (0.56) HPGDALDH1A1MAPTCES2CES1
SCHEMBL7528888 0.78 CTSG (0.43) HPGDALDH1A1MAPTF2PLG
SCHEMBL5659885 0.78 ALDH1A1 (0.45) HPGDALDH1A1MAPTF2PLG
Beta-Naphtoic Acid SCHEMBL6952554 0.76 PTPN1 (0.75) HPGDALDH1A1MAPTCES2CES1
SCHEMBL8425279 0.75 HPRT1 (0.50) HPGDALDH1A1MAPTCASP3GFER
SCHEMBL18153975 0.75 CES2 (0.50) HPGDALDH1A1MAPTF2PLG
SCHEMBL11963971 0.74 NPC1 (0.57) HPGDALDH1A1MAPTCASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997008169-A1 FURANONE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-06 WO claimed
US-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents SYNGENTA CROP PROTECTION AG (CH) 2022-03-15 US disclosed
CN-112552173-A Preparation method of fluoro alkenyl ketone compound 山东领海生物科技有限公司 2021-03-26 CN disclosed
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2021-03-25 US disclosed
EP-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 EP disclosed
EP-0988289-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-29 EP disclosed
WO-1998055454-A2 BENZOFURANS AND BENZOTHOPHENES AS SUPPRESSORS OF NEURODEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-10 WO disclosed
EP-0820464-A2 CYSTEINE PROTEASE INHIBITOR Takeda Chemical Industries, Ltd. (JP) 1998-01-28 EP disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1997008169-A1 FURANONE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-06 WO disclosed
WO-1996030395-A2 CYSTEINE PROTEASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-03 WO disclosed
EP-0540185-A1 4'-(N-substituted-N-oxide)staurosporine derivatives SCHERING CORPORATION (US) 1993-05-05 EP disclosed
WO-1993007153-A1 4'-(N-SUBSTITUTED-N-OXIDE)STAUROSPORINE DERIVATIVES SCHERING CORPORATION (US) 1993-04-15 WO 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-11274083-B2 Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents UNG, TYMP, TYMS HPGD 1792/4885ALDH1A1 133/4885MAPT 2779/4885
US-20210087151-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS HPGD 1792/4885ALDH1A1 133/4885MAPT 2779/4885

“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.