SCHEMBL3565155

SCHEMBL3565155

O=C(Cl)CCc1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.59
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
CALM1 P0DP23 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
TRPV1 Q8NER1 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL1430901 0.85 TRPM8 (0.65) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL300007 0.83 TAAR1 (0.62) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL7406 0.83 CYP3A4 (0.62) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL5944204 0.83 TRPM8 (0.59) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL29364835 0.83 CYP3A4 (0.62) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL1461888 0.83 CYP3A4 (0.68) HDAC1HDAC2HDAC3HDAC6TAAR1
SCHEMBL17694670 0.81 CTNNB1 (0.66) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL13545151 0.81 TRPM8 (0.57) TRPM8HDAC1HDAC2HDAC3HDAC6
SCHEMBL108087 0.80 TAAR1 (0.77) TAAR1CYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL6869142 0.80 HDAC1 (0.60) TRPM8HDAC1HDAC2HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116218289-B Skin-feel artistic coating and preparation method thereof 福建比美特环保集团有限公司 2024-06-18 CN claimed
CN-116218289-A Skin-feel artistic coating and preparation method thereof 福建比美特环保集团有限公司 2023-06-06 CN claimed
CN-112979625-A Synthesis method and application of piperlongumine 广西馨海药业科技有限公司 2021-06-18 CN claimed
CN-116218289-B Skin-feel artistic coating and preparation method thereof 福建比美特环保集团有限公司 2024-06-18 CN disclosed
CN-116218289-A Skin-feel artistic coating and preparation method thereof 福建比美特环保集团有限公司 2023-06-06 CN disclosed
CN-112979625-A Synthesis method and application of piperlongumine 广西馨海药业科技有限公司 2021-06-18 CN disclosed
CN-112979625-A Synthesis method and application of piperlongumine 广西馨海药业科技有限公司 2021-06-18 CN disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
CN-101123962-A Inducible nitric oxide synthase dimerization inhibitors KALYPSYS INC (US) 2008-02-13 CN disclosed
EP-1817030-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS Kalypsys, Inc. (US) 2007-08-15 EP disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US disclosed
EP-1042294-B1 HETEROCYCLIC CYTOTOXIC AGENTS UNIV RUTGERS (US) 2004-08-11 EP disclosed
US-6486167-B1 Heterocyclic cytotoxic agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2002-11-26 US disclosed
EP-1042294-A1 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-10-11 EP disclosed
WO-1999031067-A1 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-06-24 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 TRPM8 2244/4885HDAC1 2786/4885HDAC2 2675/4885

“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.