SCHEMBL93171

SCHEMBL93171

CCCCCCCC(C)OC=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
FAAH O00519 5/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
OPRM1 P35372 1/20 0.39
TSHR P16473 1/20 0.39
SMPD1 P17405 3/20 0.38
ACE2 Q9BYF1 1/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR84 Q9NQS5 2/20 0.38
FDPS P14324 2/20 0.38

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
SCHEMBL10383718 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14093766 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL93129 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2111102 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2109688 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2110531 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8810975 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2108219 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14093584 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10383121 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580636-B2 Secondary esters, methods of making, and uses thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-02-28 US claimed
US-20160319178-A1 Secondary Esters, Methods of Making, and Uses Thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-11-03 US claimed
WO-2016176243-A1 SECONDARY ESTERS, METHODS OF MAKING, AND USES THEREOF CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2016-11-03 WO claimed
US-10752862-B2 Pro-fragrance compounds FIRMENICH SA (CH) 2020-08-25 US disclosed
EP-2994447-B1 PRO-FRAGRANCE COMPOUNDS FIRMENICH & CIE (CH) 2020-04-08 EP disclosed
US-20170283737-A1 PRO-FRAGRANCE COMPOUNDS FIRMENICH SA (CH) 2017-10-05 US disclosed
US-9718753-B2 Pro-fragrance compounds FIRMENICH SA (CH) 2017-08-01 US disclosed
US-9580636-B2 Secondary esters, methods of making, and uses thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-02-28 US disclosed
US-9580636-B2 Secondary esters, methods of making, and uses thereof CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-02-28 US disclosed
EP-2439204-B1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER NISSAN CHEMICAL IND LTD (JP) 2017-01-04 EP disclosed
US-9527828-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-12-27 US disclosed
WO-2006062240-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 WO disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed
US-5187053-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1993-02-16 US disclosed
US-5037733-A High speed, storage stable photographic films and papers, surface bromination of silver halide grains, cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 1991-08-06 US disclosed
US-4770991-A HIGH SPEED GIVING HIGH CONTRAST AND HIGH MAXIMUM DENSITY IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1988-09-13 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 (3 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-10752862-B2 Pro-fragrance compounds ADH5, HRH1, C9 ADH1B 94/4885ADH1C 6/4885ADH1A 5/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 ADH1B 2159/4885ADH1C 3407/4885ADH1A 2945/4885
US-20170283737-A1 PRO-FRAGRANCE COMPOUNDS ADH5, HRH1, C9 ADH1B 94/4885ADH1C 6/4885ADH1A 5/4885

“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.