SCHEMBL7923664

SCHEMBL7923664

C=C(C)C(Cl)CC/C(C)=C/COC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PTPN1 P18031 1/20 0.50
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
NDUFS8 O00217 1/20 0.32
COXFA4 O00483 1/20 0.32
NDUFAB1 O14561 1/20 0.32
NDUFA1 O15239 1/20 0.32
NDUFS4 O43181 1/20 0.32
NDUFB5 O43674 1/20 0.32
NDUFB3 O43676 1/20 0.32
NDUFC1 O43677 1/20 0.32
NDUFA2 O43678 1/20 0.32
NDUFS5 O43920 1/20 0.32
NDUFS7 O75251 1/20 0.32
NDUFS2 O75306 1/20 0.32
NDUFS6 O75380 1/20 0.32
NDUFB1 O75438 1/20 0.32
NDUFS3 O75489 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
SCHEMBL9017122 1.00 ALOX15 (0.51) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL7923667 1.00 ALOX15 (0.51) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL9017084 0.94 ALDH1A1 (0.58) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL10564035 0.77 ALDH1A1 (0.59) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL10564027 0.77 ALDH1A1 (0.59) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL9580517 0.77 KDM1A (0.41) FNTAFNTBPGGT1B
SCHEMBL9580515 0.77 KDM1A (0.41) FNTAFNTBPGGT1B
SCHEMBL9509206 0.76 ALOX15 (0.50) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL9509207 0.76 ALOX15 (0.50) ALOX15ALDH1A1PTPN1FNTAFNTB
SCHEMBL31402639 0.76 CBLB (0.37) ALOX15ALDH1A1PTPN1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63227548-A None JP disclosed
CN-111269121-A Purification method of 8-oxo-3, 7-dimethyl-octadienyl carboxylate compound 广州巨元生化有限公司 2020-06-12 CN disclosed
US-20100222606-A1 METHOD FOR PRODUCING BISABOLOL WHICH IS FARNESOL FREE OR IS LOW IN FARNESOL BASF SE (DE) 2010-09-02 US disclosed
US-20100222606-A1 METHOD FOR PRODUCING BISABOLOL WHICH IS FARNESOL FREE OR IS LOW IN FARNESOL BASF SE (DE) 2010-09-02 US disclosed
WO-2007082847-A1 METHOD FOR PRODUCING BISABOLOL WHICH IS FARNESOL FREE OR IS LOW IN FARNESOL BASF SE (DE) 2007-07-26 WO disclosed
EP-0881204-B1 Polyene alcohol derivative and process for producing the same SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
US-6087541-A Polyene alcohol derivative and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-11 US disclosed
EP-0881204-A1 Polyene alcohol derivative and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-02 EP disclosed
EP-0234496-B2 Process for preparing alpha, beta-unsaturated aldehydes KURARAY CO (JP) 1997-07-23 EP disclosed
EP-0414106-B1 Process for the preparation of terpenes EISAI CO LTD (JP) 1996-03-27 EP disclosed
EP-0282914-B1 PROCESS FOR PREPARING CHLORINATED OLEFINS KURARAY CO., LTD. (JP) 1993-09-29 EP disclosed
US-5196608-A Chemical intermediates for vitamin A DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-03-23 US disclosed
EP-0489454-A1 Use of an allylchloride for preparing an aldehyde DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-06-10 EP disclosed
US-5073659-A Alkylation, Grignard reagent, zinc chloride catalyst and coppe r compound EISAI CO., LTD. (JP) 1991-12-17 US disclosed
EP-0414106-A2 Process for the preparation of terpenes Eisai Co., Ltd. (JP) 1991-02-27 EP disclosed
US-4827056-A HYPOCHLOROUS ACID KURARAY COMPANY LTD. (JP) 1989-05-02 US disclosed
EP-0282914-A2 Process for preparing chlorinated olefins KURARAY CO., LTD. (JP) 1988-09-21 EP disclosed
JP-S63227548-A NOVEL FORMIC ACID ESTER KURARAY CO LTD 1988-09-21 JP disclosed
US-4745229-A OXIDATION, DECHLORINATION KURARAY COMPANY LTD. (JP) 1988-05-17 US disclosed
EP-0234496-A2 Process for preparing alpha, beta-unsaturated aldehydes Kuraray Co., Ltd. (JP) 1987-09-02 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 (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-20100222606-A1 METHOD FOR PRODUCING BISABOLOL WHICH IS FARNESOL FREE OR IS LOW IN FARNESOL FHIT, FDPS, FNTA ALOX15 292/4885ALDH1A1 856/4885PTPN1 4473/4885

“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.