SCHEMBL17219792

SCHEMBL17219792

CCCCCCC(C)(C=O)CO

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.41
FDPS P14324 9/20 0.39
SMPD1 P17405 2/20 0.38
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL9578451 0.98 FDPS (0.38) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL8955012 0.91 FDPS (0.34) GGPS1FDPSTSHR
SCHEMBL9220588 0.87 TSHR (0.44) GGPS1FDPSCES2LPAR1LPAR3
SCHEMBL10304506 0.85 TSHR (0.37) GGPS1FDPSCES2LPAR1LPAR3
SCHEMBL28358059 0.85 TSHR (0.37) GGPS1FDPSCES2LPAR1LPAR3
SCHEMBL342458 0.84
SCHEMBL6797179 0.83 TSHR (0.41) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL6797613 0.83 TSHR (0.41) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL6792415 0.83 TSHR (0.41) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL6798591 0.83 TSHR (0.41) GGPS1FDPSSMPD1CES2LPAR1

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 10 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
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

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 GGPS1 50/4885FDPS 360/4885SMPD1 883/4885
US-20160083321-A1 POLYOL-ETHER COMPOUND AND METHOD FOR PRODUCING THE SAME CYP8B1, HACL2, HSD11B2 GGPS1 294/4885FDPS 785/4885SMPD1 2934/4885

“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.