SCHEMBL8955012

SCHEMBL8955012

CCCCC(C)(C=O)CO

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.34
TSHR P16473 3/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 1/20 0.31
CA2 P00918 2/20 0.31
MAPK1 P28482 1/20 0.31
CTSK P43235 1/20 0.31
GGPS1 O95749 2/20 0.30
CA1 P00915 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH7 P40394 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
SCHEMBL9578451 0.93 FDPS (0.38) FDPSGGPS1
SCHEMBL17219792 0.91 GGPS1 (0.41) FDPSTSHRGGPS1
SCHEMBL342458 0.88
SCHEMBL5137670 0.86 TSHR (0.36) FDPSTSHRESR1ESR2SMN1; SMN2
SCHEMBL9171978 0.85 TSHR (0.39) FDPSTSHRESR1ESR2SMN1; SMN2
SCHEMBL9245830 0.81 TSHR (0.39) FDPSTSHRSMN1; SMN2GGPS1ADH1B
SCHEMBL276807 0.81 TSHR (0.36) FDPSTSHRESR1ESR2SMN1; SMN2
SCHEMBL10304506 0.79 TSHR (0.37) FDPSTSHRSMN1; SMN2GGPS1ADH1B
SCHEMBL28358059 0.79 TSHR (0.37) FDPSTSHRSMN1; SMN2GGPS1ADH1B
SCHEMBL556820 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466941-B1 PROCESS FOR PRODUCING CYCLIC ACETAL COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2020-08-05 EP disclosed
EP-2987780-B1 POLYOL-ETHER COMPOUND AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL CO (JP) 2019-10-02 EP disclosed
EP-3466941-A1 METHOD FOR PREPARING CYCLIC ACETAL COMPOUND Mitsubishi Gas Chemical Company, Inc. (JP) 2019-04-10 EP disclosed
EP-2939997-B1 POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL CO (JP) 2018-12-05 EP disclosed
US-9790155-B2 Polyether diol and method for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-10-17 US disclosed
US-9656935-B2 Polyol-ether compound and method for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-05-23 US disclosed
US-20160083321-A1 POLYOL-ETHER COMPOUND AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-03-24 US disclosed
EP-2987780-A1 POLYOL-ETHER COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2016-02-24 EP disclosed
CN-105209416-A Polyol ether compound and process for producing the same MITSUBISHI GAS CHEMICAL CO 2015-12-30 CN disclosed
US-20150329454-A1 POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-11-19 US disclosed
EP-2939997-A1 POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME Mitsubishi Gas Chemical Company, Inc. (JP) 2015-11-04 EP disclosed
CN-104884418-A Polyether diol and process for producing the same MITSUBISHI GAS CHEMICAL CO 2015-09-02 CN disclosed
EP-0568819-B1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF AG (DE) 1996-01-03 EP disclosed
US-5304685-A Preparation of 3-(hydroxyphenyl)propionaldehydes and their hydrogenation to 3-(hydroxyphenyl)propanols BASF AKTIENGESELLSCHAFT (DE) 1994-04-19 US disclosed
EP-0568819-A1 Process for the preparation of 3-(hydroxyphenyl)-propionaldehydes and optionally the preparation of 3-(hydroxyphenyl)-propanols BASF Aktiengesellschaft (DE) 1993-11-10 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-20150329454-A1 POLYETHER DIOL AND METHOD FOR PRODUCING THE SAME DHCR7, HSD17B7, HSD17B12 FDPS 360/4885TSHR 3345/4885ESR1 1246/4885
US-20160083321-A1 POLYOL-ETHER COMPOUND AND METHOD FOR PRODUCING THE SAME CYP8B1, HACL2, HSD11B2 FDPS 785/4885TSHR 3082/4885ESR1 993/4885

“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.