SCHEMBL6907167

SCHEMBL6907167

[CH2]C/C=C(\C)CCCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
KDM1A O60341 1/20 0.51
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
SNCA P37840 1/20 0.38
PDE3A Q14432 1/20 0.38
PTPN2 P17706 1/20 0.34
CDC25B P30305 1/20 0.34
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
SQLE Q14534 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
SCHEMBL6907169 1.00 PTPN1 (0.58) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL6903691 0.92 KDM1A (0.63) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL6903689 0.92 KDM1A (0.63) PTPN1KDM1AMEN1CYP3A4ALOX15
SCHEMBL13278036 0.92 PTPN1 (0.71) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL13277679 0.92 PTPN1 (0.71) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL13278035 0.92 PTPN1 (0.71) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL13277680 0.92 PTPN1 (0.71) PTPN1KDM1APTGS1PDE4ASNCA
SCHEMBL14759468 0.86 PTPN1 (0.42) PTPN1KDM1AKMT2A
SCHEMBL14759466 0.86 PTPN1 (0.42) PTPN1KDM1AKMT2A
SCHEMBL163911 0.80 PTPN1 (0.85) PTPN1KDM1APTGS1PDE4ASNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125735-A Synthesis of esters of acetylenic alcohols SCM CORPORATION (US) 1978-11-14 US claimed
US-4115466-A ACETYLENIC HYDROCARBONS FROM ACETYLENIC CARBINOLS, ISOMERIZATION SCM CORPORATION (US) 1978-09-19 US claimed
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH SA (CH) 2023-04-27 US disclosed
US-11530366-B2 Use of volatile compounds to modulate the perception of musk FIRMENICH SA (CH) 2022-12-20 US disclosed
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK FIRMENICH, SA (CH) 2020-12-10 US disclosed
EP-3703823-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK Firmenich SA (CH) 2020-09-09 EP disclosed
US-6703527-B2 REACTING ALLYL ALCOHOL COMPOUND SUCH AS 2E,6E-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OL WITH HYDRIDE ACCEPTOR SUCH AS 2-NITROBENZALDEHYDE IN THE PRESENCE OF AN ALUMINIUM ALKOXIDE AS AN OPPENAUER OXIDATION CATALYST NIKKEN CHEMICALS CO., LTD. (JP) 2004-03-09 US disclosed
US-20020198411-A1 Method for oxidation of allyl alcohol NIKKEN CHEMICALS CO., LTD. (JP) 2002-12-26 US disclosed
US-4125735-A Synthesis of esters of acetylenic alcohols SCM CORPORATION (US) 1978-11-14 US disclosed
US-4055575-A HYDROGENATION, SAPONIFICATION SCM CORPORATION (US) 1977-10-25 US disclosed
US-4039591-A 1-ACETOXY-4-CHLORO-3-METHYLBUT-2-ENE SCM CORPORATION (US) 1977-08-02 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 (4 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-20020198411-A1 Method for oxidation of allyl alcohol ADH1A, ADH1C, ADH5 PTPN1 4791/4885KDM1A 1170/4885PTGS1 1318/4885
US-11530366-B2 Use of volatile compounds to modulate the perception of musk TRPA1, CMPK1, PLK3 PTPN1 3463/4885KDM1A 3852/4885PTGS1 2102/4885
US-20200385648-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, CMPK1, PLK3 PTPN1 3463/4885KDM1A 3852/4885PTGS1 2102/4885
US-20230125249-A1 USE OF VOLATILE COMPOUNDS TO MODULATE THE PERCEPTION OF MUSK TRPA1, TRPM5, TRPM8 PTPN1 3308/4885KDM1A 3722/4885PTGS1 2054/4885

“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.