SCHEMBL9750892

SCHEMBL9750892

CCCCC(OC(CCCC)C(C)CC)C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
DNM1 Q05193 2/20 0.35
CYP3A4 P08684 4/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 5/20 0.34
CA1 P00915 3/20 0.34
OPRM1 P35372 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.31
FDPS P14324 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL8222305 0.91 OPRM1 (0.41) DNM1TSHROPRM1FDPSPTPN1
SCHEMBL8221097 0.91 OPRM1 (0.41) DNM1TSHROPRM1FDPSPTPN1
SCHEMBL17103146 0.84 TSHR (0.32) TSHR
SCHEMBL15929840 0.83 CA2 (0.38) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL10781652 0.81 DNM1 (0.42) DNM1TSHRCA2OPRM1PTPN1
SCHEMBL27256773 0.80 ALDH1A1 (0.36) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL27805487 0.79 OPRM1 (0.39) DNM1CA1OPRM1FDPSPTPN1
SCHEMBL3721678 0.79 DNM1 (0.38) ALDH1A1TDP1DNM1CYP3A4TSHR
SCHEMBL4665656 0.78 OPRM1 (0.42) DNM1TSHROPRM1FDPSPTPN1
SCHEMBL3034928 0.76 CA2 (0.33) ALDH1A1TDP1CYP3A4TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186531-B2 Production method for alkene KUREHA CORPORATION (JP) 2021-11-30 US disclosed
US-20210047252-A1 PRODUCTION METHOD FOR ALKENE KUREHA CORPORATION (JP) 2021-02-18 US disclosed
EP-0284005-B1 METHOD OF PRODUCTION OF POLYOLEFINS IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed
US-4981930-A POLYMERIZATION CATALYSTS IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1991-01-01 US disclosed
EP-0284005-A2 Method of production of polyolefins IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-09-28 EP disclosed
US-4748283-A POLYMERIZATION CATALYSTS LITHIUM CORPORATION OF AMERICA (US) 1988-05-31 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 (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-20210047252-A1 PRODUCTION METHOD FOR ALKENE ALK, ALKBH3, ALKBH1 ALDH1A1 299/4885TDP1 515/4885DNM1 3753/4885
US-11186531-B2 Production method for alkene ALK, ALKBH3, ALKBH1 ALDH1A1 299/4885TDP1 515/4885DNM1 3753/4885

“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.