SCHEMBL18285207

SCHEMBL18285207

CCCCCC(=O)OCCOOC(C)(C)CC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.62
DNM1 Q05193 1/20 0.49
PAM P19021 2/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2C P28335 1/20 0.41
MGLL Q99685 1/20 0.40
THRB P10828 1/20 0.39
CNR1 P21554 1/20 0.39

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
SCHEMBL2829466 0.89 DGKA (0.61) DGKADNM1PAMPRSS1PRSS2
SCHEMBL22400778 0.89 DGKA (0.51) DGKADNM1PAMPRSS1PRSS2
SCHEMBL29164107 0.88 DGKA (0.44) DGKADNM1PAMPRSS1PRSS2
SCHEMBL4268446 0.88 DGKA (0.59) DGKADNM1PAMPRSS1PRSS2
SCHEMBL996732 0.87 DGKA (0.67) DGKADNM1PAMPRSS1PRSS2
Ethylene Glycol Dihexanoate SCHEMBL435208 0.80 DGKA (0.95) DGKADNM1PAMPRSS1PRSS2
SCHEMBL28955105 0.80 CYP1A2 (0.47) DGKATSHRALDH1A1KMT2A
SCHEMBL28429153 0.79 DGKA (0.77) DGKADNM1PAMPRSS1PRSS2
SCHEMBL18285271 0.79 DGKA (0.77) DGKADNM1PAMPRSS1PRSS2
SCHEMBL1197282 0.78 DGKA (1.00) DGKADNM1PAMPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303436-B1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-12-09 EP disclosed
US-10266472-B2 Hydrofluoroolefins and methods of using same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-04-23 US disclosed
US-20180141887-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-05-24 US disclosed
EP-3303436-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M Innovative Properties Company (US) 2018-04-11 EP disclosed
WO-2016196242-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-12-08 WO 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-10266472-B2 Hydrofluoroolefins and methods of using same RFT1, AFF1, RFC3 DGKA 3922/4885DNM1 2147/4885PAM 3375/4885
US-20180141887-A1 HYDROFLUOROOLEFINS AND METHODS OF USING SAME RFT1, AFF1, RFC3 DGKA 3922/4885DNM1 2147/4885PAM 3375/4885

“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.