SCHEMBL6449049

SCHEMBL6449049

CC(Oc1ccc(CCl)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
GAA P10253 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59
CYP2C19 P33261 1/20 0.59
TBXAS1 P24557 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
EPHX2 P34913 2/20 0.53
ADRB3 P13945 5/20 0.50
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4262556 0.84 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7993446 0.84 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4650970 0.84 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL14533739 0.84 CYP1A2 (0.61) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7848021 0.83 KMT2A (0.51) TBXAS1EPHX2POLBSMN1; SMN2
SCHEMBL11539024 0.82 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1125165 0.82 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10207277 0.82 CYP2C9 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL1811398 0.82 CYP1A2 (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL9480200 0.81 L3MBTL1 (0.61) GAATBXAS1TDP1EPHX2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2005-09-01 US claimed
US-20040116294-A1 Herbicides based on substituted aryl ketones BAYER CROPSCIENCE AG (DE) 2004-06-17 US claimed
JP-11269013-A None JP disclosed
JP-H11269013-A HERBICIDAL COMPOSITION NISSAN CHEM IND LTD 1999-10-05 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-20050192182-A1 Herbicidal mixtures based on substituted aryl ketones DDT, CBR3, CYP1B1 CYP1A2 8/4885GAA 690/4885CYP2C9 58/4885

“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.