SCHEMBL17201940

SCHEMBL17201940

OC1CCCCCCCCCCCCCCCCCCCCCCCCCCC1O.OCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A3 Q16572 2/20 0.33
GBA1 P04062 2/20 0.31
GSR P00390 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
SMN1; SMN2 Q16637 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
1,6-Hexanediol SCHEMBL1156749 0.97 EPHX1 (0.39) EPHX1CA1CA2CA4LMNA
1,4-Butanediol SCHEMBL28231182 0.94 CA1 (0.41) EPHX1CA1CA2CA4LMNA
1,5-Pentanediol SCHEMBL2844810 0.92 LMNA (0.36) EPHX1CA1CA2CA4LMNA
1,3-Propanediol SCHEMBL6379474 0.88 CA1 (0.41) EPHX1CA1CA2CA4TSHR
Ethylene Glycol SCHEMBL11128853 0.85 CA1 (0.43) CA1CA2CA4TSHRSLC18A3
1,4-Butanediol SCHEMBL3681996 0.82 SMN1; SMN2 (0.37) EPHX1LMNATSHRALDH1A1HSD17B10
SCHEMBL30119591 0.82 CA1 (0.52) EPHX1CA1CA2CA4SLC18A3
Cyclohexanol SCHEMBL21925166 0.80 TSHR (0.59) EPHX1LMNATSHRALDH1A1HSD17B10
Butyl Alcohol SCHEMBL27528881 0.79 ALDH1A1 (0.55) CA1CA2CA4LMNATSHR
SCHEMBL28291025 0.78 CA1 (0.47) CA1CA2CA4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134481-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM Entropy Solutions, Inc. (US) 2017-03-01 EP claimed
US-20170044414-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC 2017-02-16 US claimed
WO-2015164654-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS INC. (US) 2015-10-29 WO claimed
EP-3134481-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM Entropy Solutions, Inc. (US) 2017-03-01 EP disclosed
US-20170044414-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS LLC 2017-02-16 US disclosed
WO-2015164654-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM ENTROPY SOLUTIONS INC. (US) 2015-10-29 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 (1 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-20170044414-A1 THERMAL ENERGY STORAGE AND TEMPERATURE STABILIZATION PHASE CHANGE MATERIALS COMPRISING ALKANOLAMIDES AND DIESTERS AND METHODS FOR MAKING AND USING THEM PFAS, ALKBH2, ALKBH5 EPHX1 1692/4885CA1 4266/4885CA2 3676/4885

“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.