SCHEMBL6440730

SCHEMBL6440730

CCCCC(CC)COC(=O)C(C)Oc1ccc(Cl)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ TSHR P16473 4/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ LMNA P02545 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CA2 P00918 1/20 0.46
▸ TRPM4 Q8TD43 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29777555 1.00 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRHTR2AHTR2C
SCHEMBL29908513 0.90 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRLMNASMN1; SMN2
SCHEMBL15810353 0.90 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRLMNASMN1; SMN2
SCHEMBL15810368 0.90 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRLMNASMN1; SMN2
SCHEMBL27476189 0.83 TSHR (0.62) ALDH1A1TSHRHTR2AHTR2CHTR2B
SCHEMBL28831277 0.83 TSHR (0.62) ALDH1A1TSHRHTR2AHTR2CHTR2B
SCHEMBL19253806 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRLMNACYP3A4
SCHEMBL4883230 0.82 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRLMNASMN1; SMN2
SCHEMBL29510436 0.82 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRLMNASMN1; SMN2
SCHEMBL29777556 0.81 TSHR (0.67) MAPK1TSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337017-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS Bayer Aktiengesellschaft (DE) 2024-03-20 — — EP claimed
WO-2022152728-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-07-21 — — WO claimed
EP-1194036-A1 HERBICIDAL EMULSIFIABLE CONCENTRATES BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 — — EP claimed
US-6348434-B1 FLUORINATED COMPOUND, ALKYL PHENOXYALKANOATE, NONIONIC SURFACTANT, BENZENESULFONATE, AND SOLVENT; SYNERGISTIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-02-19 — — US claimed
WO-2001001777-A1 HERBICIDAL EMULSIFIABLE CONCENTRATES BASF AKTIENGESELLSCHAFT (DE) 2001-01-11 — — WO claimed
EP-4378314-A2 HERBICIDAL COMPOSITIONS Bayer AG (DE) 2024-06-05 — — EP disclosed
EP-4337017-A1 HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS Bayer Aktiengesellschaft (DE) 2024-03-20 — — EP disclosed
US-20230210111-A1 HERBICIDAL MIXTURES AND COMPOSITIONS AND METHODS OF USE SBM Developpement SAS (FR) 2023-07-06 — — US disclosed
US-20230032505-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2023-02-02 — — US disclosed
EP-3890489-B1 HERBICIDAL COMBINATIONS BAYER AG (DE) 2023-01-04 — — EP disclosed
EP-3890488-B1 HERBICIDAL COMBINATIONS BAYER AG (DE) 2023-01-04 — — EP disclosed
US-20220386605-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-08 — — US disclosed
EP-3890488-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2021-10-13 — — EP disclosed
WO-2021001273-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-07 — — WO disclosed
WO-2020114934-A1 HERBICIDE COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-11 — — WO disclosed
WO-2020114932-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-11 — — WO disclosed
EP-1194036-B1 HERBICIDAL EMULSIFIABLE CONCENTRATES BASF AG (DE) 2005-04-27 — — EP disclosed
EP-1194036-A1 HERBICIDAL EMULSIFIABLE CONCENTRATES BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 — — EP disclosed
US-6348434-B1 FLUORINATED COMPOUND, ALKYL PHENOXYALKANOATE, NONIONIC SURFACTANT, BENZENESULFONATE, AND SOLVENT; SYNERGISTIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-02-19 — — US disclosed
WO-2001001777-A1 HERBICIDAL EMULSIFIABLE CONCENTRATES BASF AKTIENGESELLSCHAFT (DE) 2001-01-11 — — 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 (3 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-20230032505-A1 HERBICIDAL COMPOSITIONS DDT, GUSB, HDHD5 ALDH1A1 115/4885MAPK1 3649/4885TSHR 3047/4885
US-20230210111-A1 HERBICIDAL MIXTURES AND COMPOSITIONS AND METHODS OF USE DDT, DCPS, MPHOSPH6 ALDH1A1 501/4885MAPK1 4297/4885TSHR 2933/4885
US-20220386605-A1 HERBICIDAL COMPOSITIONS DDT, GUSB, HDHD5 ALDH1A1 93/4885MAPK1 3597/4885TSHR 2615/4885

“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.

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