SCHEMBL2051877

SCHEMBL2051877

CC1(C)Cc2cccc(O)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
CHRM3 P20309 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL11960180 0.82 BCL2L1 (0.50) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL8832281 0.77 ALDH1A1 (0.42) CYP1A2HPGD
SCHEMBL11605281 0.76 HTR1A (0.40) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL12804798 0.75 BCL2L1 (0.45) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL22989998 0.75 TRPA1 (0.34) HTR2C
SCHEMBL21776969 0.74 CES1 (0.37)
SCHEMBL29437971 0.73 HTR1A (0.41) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL9900095 0.73 HTR1A (0.41) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL1081332 0.72 CA1 (0.41) BCL2L1BADHTR1AHTR1BHTR2A
SCHEMBL19337416 0.72 ALDH1A1 (0.40) DRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012173842-A2 PURIFICATION PROCESS FOR PARA-METHALLYLPYROCATECHOL FMC CORPORATION (US) 2012-12-20 WO disclosed
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 CN disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 BCL2L1 340/4885BAD 2549/4885HTR1A 1326/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 BCL2L1 240/4885BAD 2633/4885HTR1A 2135/4885

“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.