SCHEMBL2250976

SCHEMBL2250976

CC[C@H]1CCC(CCC(C)=O)C(=O)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.35

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
SCHEMBL2248568 1.00 PTPN1 (0.35) PTPN1
SCHEMBL13335572 0.86 PTPN1 (0.34) PTPN1
SCHEMBL2247102 0.81 PTPN1 (0.33) PTPN1
SCHEMBL2250831 0.81 PTPN1 (0.33) PTPN1
SCHEMBL13685566 0.81 PTPN1 (0.33) PTPN1
SCHEMBL16637469 0.68 TSHR (0.36) PTPN1
SCHEMBL22754602 0.66 FOLH1 (0.46) PTPN1
SCHEMBL22754603 0.66 FOLH1 (0.46) PTPN1
SCHEMBL17995476 0.62 TLR4 (0.31)
SCHEMBL7910636 0.61 NPC1 (0.59)

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-8481013-B2 Compounds having sandalwood odors FIRMENICH SA (CH) 2013-07-09 US disclosed
EP-2370178-B1 COMPOUNDS HAVING SANDALWOOD ODORS FIRMENICH & CIE (CH) 2012-11-14 EP disclosed
EP-2370178-A2 COMPOUNDS HAVING SANDALWOOD ODORS Firmenich S.A. (CH) 2011-10-05 EP disclosed
US-20110195038-A1 COMPOUNDS HAVING SANDALWOOD ODORS FIRMENICH SA 2011-08-11 US disclosed
WO-2010061316-A2 COMPOUNDS HAVING SANDALWOOD ODORS FIRMENICH SA (CH) 2010-06-03 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-20110195038-A1 COMPOUNDS HAVING SANDALWOOD ODORS C9, CBR3, CBR1 PTPN1 4075/4885

“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.