SCHEMBL7195368

SCHEMBL7195368

CC(=O)OCC1(COC(C)=O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
BLM P54132 1/20 0.38
CACNA2D1 P54289 1/20 0.38
GALR3 O60755 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL30683844 0.98 ALDH1A1 (0.40) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL7186589 0.90 LMNA (0.34) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL8448704 0.88 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL18134200 0.88 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10TSHRSMN1; SMN2
SCHEMBL11376586 0.88 LMNA (0.33) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL31196271 0.83 ALDH1A1 (0.36) LMNAALDH1A1HSD17B10GALR3
SCHEMBL9214255 0.82 USP2 (0.33) LMNAALDH1A1TSHRCYP1A2SMN1; SMN2
SCHEMBL7608822 0.80 ALDH1A1 (0.37) LMNAALDH1A1HSD17B10TSHRCYP1A2
SCHEMBL13034076 0.79 ALDH1A1 (0.38) LMNAALDH1A1HSD17B10TSHR
SCHEMBL622706 0.79 TSHR (0.42) LMNAALDH1A1TSHRCYP1A2SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090902-A2 Method for producing alcohols such as cyclohexanedimethanol Nippon Shokubai Co., Ltd. (JP) 2001-04-11 EP claimed
CN-111065700-B Cationic electrodeposition coating composition and electrodeposition coating method 关西涂料株式会社 2023-05-02 CN disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 US disclosed
US-9464077-B2 Nitrogen-containing aromatic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-10-11 US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 US disclosed
US-6600080-B1 Method of alcohols such as cyclohexanedimethanol, a benzyl ester is obtained, for example, by the reaction between a benzyl compound and carboxylic acid in the presence of oxygen and a catalyst including palladium, gold ultra fine particles NIPPON SHOKUBAI CO., LTD. (JP) 2003-07-29 US disclosed
JP-2002003418-A METHOD FOR PRODUCING ALICYCLIC OR AROMATIC ALCOHOL FROM ACETATE COMPOUND NIPPON SHOKUBAI CO LTD 2002-01-09 JP disclosed
JP-2001172212-A METHOD FOR PRODUCING ALCOHOLS SUCH AS CYCLOHEXANEDIMETHANOL NIPPON SHOKUBAI CO LTD 2001-06-26 JP disclosed
EP-1090902-A2 Method for producing alcohols such as cyclohexanedimethanol Nippon Shokubai Co., Ltd. (JP) 2001-04-11 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-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 LMNA 4621/4885ALDH1A1 1620/4885HSD17B10 2647/4885
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 LMNA 4565/4885ALDH1A1 1432/4885HSD17B10 2246/4885

“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.