SCHEMBL17214528

SCHEMBL17214528

CC(C)=CC[C@H](C)[C@H]1C[C@]1(C)COC(=O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.30

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
SCHEMBL17214658 1.00 PTPN1 (0.30) PTPN1
SCHEMBL18425328 1.00 PTPN1 (0.30) PTPN1
SCHEMBL17214647 1.00 PTPN1 (0.30) PTPN1
SCHEMBL18567164 1.00 PTPN1 (0.30) PTPN1
SCHEMBL17214657 1.00 PTPN1 (0.30) PTPN1
SCHEMBL18416033 0.86
SCHEMBL18425240 0.86
SCHEMBL17214656 0.86
SCHEMBL18567168 0.86
SCHEMBL18416034 0.86

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-10407378-B2 Compound, and flavor and/or fragrance composition containing said compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2019-09-10 US disclosed
EP-3135663-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION CONTAINING SAID COMPOUND Takasago International Corporation (JP) 2017-03-01 EP disclosed
US-20170029358-A1 NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-02-02 US disclosed
US-20170029358-A1 NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2017-02-02 US disclosed
WO-2015163023-A1 NOVEL COMPOUND, AND FLAVOR COMPOSITION CONTAINING SAID COMPOUND 高砂香料工業株式会社 2015-10-29 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 (2 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-20170029358-A1 NOVEL COMPOUND, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAID COMPOUND TAS2R5, TAS2R1, TAS2R20 PTPN1 4646/4885
US-10407378-B2 Compound, and flavor and/or fragrance composition containing said compound OR10J3, TAS2R5, TAS2R1 PTPN1 4450/4885

“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.