SCHEMBL6135686

SCHEMBL6135686

C=C(C)C=CCC(C)CCOC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNB2 P17787 4/20 0.32
CHRNA4 P43681 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
TSHR P16473 2/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL6135683 1.00 ALOX15 (0.50) ALOX15ALDH1A1CYP3A4LMNATDP1
SCHEMBL31538353 0.79 ALOX15 (0.53) ALOX15ALDH1A1CYP3A4LMNATDP1
SCHEMBL17079529 0.79 ALOX15 (0.56) ALOX15ALDH1A1CYP3A4LMNATDP1
SCHEMBL1614306 0.77 ALOX15 (0.58) ALOX15ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL1613577 0.77 ALOX15 (0.54) ALOX15ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL1613574 0.77 ALOX15 (0.54) ALOX15ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL7552905 0.75 ALOX15 (0.70) ALOX15ALDH1A1LMNACHRNB2CHRNA4
SCHEMBL7782877 0.74 ALDH1A1 (0.41) ALOX15ALDH1A1CYP3A4LMNATDP1
SCHEMBL7782876 0.74 ALDH1A1 (0.41) ALOX15ALDH1A1CYP3A4LMNATDP1
SCHEMBL31538381 0.74 ALOX15 (0.51) ALOX15ALDH1A1

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-12344569-B2 Process for making a conjugated diene from an allyl alcohol GIVAUDAN SA (CH) 2025-07-01 US claimed
EP-4168383-B1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2024-07-31 EP claimed
US-20230322645-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2023-10-12 US claimed
EP-1373548-B1 CHEMO-ENZYMATIC SYNTHESIS OF OPTICALLY ENRICHED ROSE-OXIDES COUNCIL SCIENT IND RES (IN) 2005-07-13 EP disclosed
US-6692944-B2 Chemo-enzymatic synthesis of optically enriched rose-oxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2004-02-17 US disclosed
EP-1373548-A1 CHEMO-ENZYMATIC SYNTHESIS OF OPTICALLY ENRICHED ROSE-OXIDES Council of Scientific and Industrial Research (IN) 2004-01-02 EP disclosed
WO-2003087387-A1 CHEMO-ENZYMATIC SYNTHESIS OF OPTICALLY ENRICHED ROSE-OXIDES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-23 WO disclosed
US-20030186395-A1 Chemo-enzymatic synthesis of optically enriched rose-oxides COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-10-02 US disclosed
EP-0761628-B1 Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide TAKASAGO PERFUMERY CO LTD (JP) 2001-11-14 EP disclosed
US-5672783-A Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-30 US disclosed
EP-0761628-A1 Method for producing 3,7-dimethyl-5,7-octadiene-1-ol or rose oxide Takasago International Corporation (JP) 1997-03-12 EP 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-12344569-B2 Process for making a conjugated diene from an allyl alcohol ADH1C, ADH1A, ADH5 ALOX15 147/4885ALDH1A1 17/4885CYP3A4 239/4885
US-20230322645-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL ADH1C, ADH1A, ADH5 ALOX15 147/4885ALDH1A1 17/4885CYP3A4 239/4885

“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.