SCHEMBL13603914

SCHEMBL13603914

C=C(CC)COc1cccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ KMT2A Q03164 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ RECQL P46063 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ABCC3 O15438 1/20 0.34
▸ PLIN1 O60240 1/20 0.34

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
SCHEMBL13603922 0.81 CHRNB2 (0.42) CHRNB2CHRNA4MAPTPOLBL3MBTL1
SCHEMBL13603911 0.81 S1PR4 (0.42) KMT2APKMALDH1A1MAPTL3MBTL1
SCHEMBL13603921 0.79 SLC6A2 (0.43) ALDH1A1POLBL3MBTL1LMNASMN1; SMN2
SCHEMBL2547749 0.77 GRM5 (0.49) CHRNB2CHRNA4KMT2AALDH1A1POLB
SCHEMBL29407668 0.77 GRM5 (0.49) CHRNB2CHRNA4KMT2AALDH1A1POLB
SCHEMBL13603900 0.75 TP53 (0.44) KMT2ARECQLALDH1A1MAPTKDM4E
SCHEMBL1969238 0.75 USP2 (0.51) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL30454309 0.75 USP2 (0.51) KMT2AALDH1A1MAPTKDM4ELMNA
SCHEMBL16741104 0.75 PTGDR2 (0.53) KMT2AALDH1A1POLBKDM4EL3MBTL1
SCHEMBL30680090 0.75 PTGDR2 (0.53) KMT2AALDH1A1POLBKDM4EL3MBTL1

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-7638514-B2 Agriculture SYNGENTA CROP PROTECTION, INC. (US) 2009-12-29 — — US disclosed
US-7638514-B2 Agriculture SYNGENTA CROP PROTECTION, INC. (US) 2009-12-29 — — US disclosed
US-20070142229-A1 Pesticidally active phenol derivatives SYNGENTA CROP PROTECTION, INC. 2007-06-21 — — US disclosed
US-20070142229-A1 Pesticidally active phenol derivatives SYNGENTA CROP PROTECTION, INC. 2007-06-21 — — US 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-20070142229-A1 Pesticidally active phenol derivatives DDT, QSOX1, CHRM1 CHRNB2 550/4885CHRNA4 1315/4885KMT2A 2358/4885

“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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