SCHEMBL2250831

SCHEMBL2250831

CC(=O)CCC1CC[C@@H](C)C(C)(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL13685566 1.00 PTPN1 (0.33) PTPN1KDM4EALDH1A1POLBMAPT
SCHEMBL2247102 1.00 PTPN1 (0.33) PTPN1KDM4EALDH1A1POLBMAPT
SCHEMBL2248568 0.81 PTPN1 (0.35) PTPN1
SCHEMBL2246264 0.81 PTPN1 (0.35) PTPN1
SCHEMBL2250976 0.81 PTPN1 (0.35) PTPN1
SCHEMBL13335572 0.80 PTPN1 (0.34) PTPN1
SCHEMBL16637469 0.70 TSHR (0.36) PTPN1TSHR
SCHEMBL22754602 0.68 FOLH1 (0.46) PTPN1KDM4EALDH1A1
SCHEMBL22754603 0.68 FOLH1 (0.46) PTPN1KDM4EALDH1A1
SCHEMBL4461993 0.66 ALDH1A1 (0.31) ALDH1A1

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-8481013-B2 Compounds having sandalwood odors FIRMENICH SA (CH) 2013-07-09 US 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 4075/4885KDM4E 3990/4885ALDH1A1 276/4885

“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.