SCHEMBL16335012

SCHEMBL16335012

CC(C)(O)c1cc(COc2cc(Cl)cc(Cl)c2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.47
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ MAOB P27338 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37

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
SCHEMBL17767297 0.81 MRGPRX4 (0.47) MRGPRX4PTGDR2MAOBRXRARXRB
SCHEMBL16335644 0.80 IDO1 (0.39) MRGPRX4CYP4F2CYP4A11IDO1PTGDR2
SCHEMBL16335177 0.80 MRGPRX4 (0.43) MRGPRX4PTGDR2MAOBRXRARXRB
SCHEMBL17767298 0.80 MRGPRX4 (0.46) MRGPRX4PTGDR2MAOBRXRARXRB
SCHEMBL13321691 0.73 MAOB (0.60) MRGPRX4IDO1MAOBRXRARXRB
SCHEMBL18003069 0.72 IDO1 (0.51) IDO1PTGDR2MAOBMAOASLC6A4
SCHEMBL21945019 0.71 IDO1 (0.55) MRGPRX4IDO1PTGDR2MAOBSLC6A4
SCHEMBL11790248 0.70 TSHR (0.44) TDP1
SCHEMBL21944901 0.70 IDO1 (0.56) MRGPRX4IDO1PTGDR2MAOBSLC6A4
SCHEMBL21944807 0.69 MRGPRX4 (0.65) MRGPRX4CYP4F2CYP4A11MAOBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 — — US disclosed
EP-3013794-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-04 — — EP disclosed
WO-2014207071-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2014-12-31 — — 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 (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-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 MRGPRX4 2298/4885CYP4F2 4347/4885CYP4A11 4133/4885

“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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