SCHEMBL14029643

SCHEMBL14029643

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.40
▸ PPP5C P53041 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ TFPI2 P48307 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ TRPM8 Q7Z2W7 3/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ SLC1A2 P43004 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL14544860 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL14029625 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL14047804 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL2776355 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL14047812 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL14544418 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL14029653 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL5008061 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL4617338 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA
SCHEMBL14544417 1.00 EPHX1 (0.40) EPHX1PPP5CKDM4EGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165506-A1 PULEGANIC ACID INSECT REPELLENT E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-27 — — US disclosed
US-20130165506-A1 PULEGANIC ACID INSECT REPELLENT E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-27 — — US disclosed
US-7435851-B2 Puleganic amides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-14 — — US disclosed
WO-2007041306-A1 PULEGANIC ACID INSECT REPELLENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-12 — — WO disclosed
WO-2007041307-A1 PULEGANIC AMIDES AS INSECT REPELLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-12 — — WO disclosed
US-20070077262-A1 Puleganic acid insect repellents E. I. DU PONT DE NEMOURS AND COMPANY 2007-04-05 — — US disclosed
US-20070077263-A1 N-Substituted or N,N-disubstituted-2-isopropyl-5-methylcyclopentanecarboxamides, e.g., N,N-diethyl- or N-benzyl-; useful as a topical treatment for skin, such as a repellant for insects and arthropods E. I. DU PONT DE NEMOURS AND COMPANY 2007-04-05 — — US 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 (3 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-20130165506-A1 PULEGANIC ACID INSECT REPELLENT CUTA, PPT1, PCCA EPHX1 1693/4885PPP5C 485/4885KDM4E 3829/4885
US-20070077263-A1 N-Substituted or N,N-disubstituted-2-isopropyl-5-methylcyclopentanecarboxamides, e.g., N,N-diethyl- or N-benzyl-; useful as a topical treatment for skin, such as a repellant for insects and arthropods CUTA, PNN, NAPEPLD EPHX1 1023/4885PPP5C 1125/4885KDM4E 652/4885
US-20070077262-A1 Puleganic acid insect repellents CUTA, PPT1, PCCA EPHX1 1669/4885PPP5C 536/4885KDM4E 3770/4885

“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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