SCHEMBL2597632

SCHEMBL2597632

CC(Oc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
GAA P10253 1/20 0.66
CYP2C9 P11712 1/20 0.66
PKM P14618 1/20 0.66
CYP2C19 P33261 1/20 0.66
TDP1 Q9NUW8 3/20 0.61
PPARG P37231 5/20 0.59
PPARA Q07869 5/20 0.59
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
PTPN7 P35236 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51
PDK2 Q15119 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL20045393 1.00 CYP1A2 (0.66) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11187437 0.92 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
Benzene SCHEMBL27947282 0.86 PPARG (0.56) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9750747 0.84 TDP1 (0.56) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL11406778 0.84 PPARG (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9576337 0.84 EPHX1 (0.54) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9714375 0.84 TDP1 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL29533463 0.84 EPHX1 (0.54) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL27273683 0.83 TDP1 (0.54) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7821372 0.82 TDP1 (0.57) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US claimed
CN-103025701-A Process for preparing herbicidal salts NUFARM AUSTRALIA LTD 2013-04-03 CN claimed
WO-2011143690-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2011-11-24 WO claimed
EP-1217884-B1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS WOODY PLANT BIOTECH APS (DK) 2007-02-21 EP claimed
US-6897065-B1 Method for maturation of conifer somatic embryos WOODY PLANT BIOTECH APS (DK) 2005-05-24 US claimed
EP-1217884-A1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS Woody Plant Biotech APS (DK) 2002-07-03 EP claimed
WO-2001020972-A1 METHOD FOR MATURATION OF CONIFER SOMATIC EMBRYOS WOODY PLANT BIOTECH APS (DK) 2001-03-29 WO claimed
US-4217131-A N-/BUTOXYMETHYL/-2-CHLORO-2',6'-DIETHYLACETANILIDE, A-/B-NAPHTHOXYL/PROPIONIC ACID DERIVATIVE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-08-12 US claimed
JP-60193901-A None JP disclosed
JP-56061306-A None JP disclosed
JP-56086110-A None JP disclosed
JP-55129250-A None JP disclosed
JP-57193408-A None JP disclosed
JP-57192305-A None JP disclosed
US-4217131-A N-/BUTOXYMETHYL/-2-CHLORO-2',6'-DIETHYLACETANILIDE, A-/B-NAPHTHOXYL/PROPIONIC ACID DERIVATIVE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-08-12 US disclosed
JP-S5513203-A HERBICIDE COMPOSITION MITSUI TOATSU CHEM INC 1980-01-30 JP disclosed
JP-S54154521-A HERBICIDE COMPOSITION FOR PADDY FIELDS MITSUI TOATSU CHEM INC 1979-12-05 JP disclosed
JP-S54143525-A HERBICIDAL COMPOSITION FOR PADDY RICE FIELD MITSUI TOATSU CHEM INC 1979-11-08 JP disclosed
JP-S5476823-A HERBICIDAL COMPOSITION FOR PADDY RICE FIELD. MITSUI TOATSU CHEM INC 1979-06-19 JP disclosed
JP-S05476823-A 0001-01-01 JP 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-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS DDT, DDC, HDHD5 CYP1A2 55/4885GAA 520/4885CYP2C9 18/4885

“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.