SCHEMBL10187649

SCHEMBL10187649

Cc1cc(Oc2ccc(Cl)cc2)cc(C)c1C1=C(O)CC(CC2CCOCC2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.36
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ P2RX3 P56373 4/20 0.32
▸ MCL1 Q07820 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ BCL2 P10415 1/20 0.31
▸ BCL2L1 Q07817 1/20 0.31
▸ LDHA P00338 1/20 0.31
▸ LDHB P07195 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL10187582 0.84 SCN9A (0.31) P2RX3
SCHEMBL10187657 0.83 DRD1 (0.38) BCHEACHEP2RX3
SCHEMBL10187588 0.82 DAO (0.31) NPC1RAB9ACNR1CNR2
SCHEMBL12239446 0.82 NPC1 (0.32) BCHEACHENPC1RAB9ACNR1
SCHEMBL15001100 0.80 EZH2 (0.33) CNR1CNR2
SCHEMBL15001231 0.77 — —
SCHEMBL15001052 0.76 — —
SCHEMBL16256584 0.76 CYP26A1 (0.38) ACHECNR1CNR2
SCHEMBL10207909 0.75 MAOA (0.38) CNR1CNR2
SCHEMBL19070718 0.73 RIPK2 (0.36) ACHENPC1GAARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 — — US disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 — — US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 — — US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 — — US disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 — — 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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 TTK 3931/4885BCHE 106/4885ACHE 11/4885

“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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