SCHEMBL18909760

SCHEMBL18909760

CCC[C@H](OCCO)c1cc(F)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
KDM4E B2RXH2 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHPS P49366 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL18908175 0.89 KCNH2 (0.38) KCNH2TMEM97SIGMAR1KDM4EHTR2C
SCHEMBL18909761 0.88 USP2 (0.39) KCNH2TAS1R3TAS1R1KDM4EHTR2C
SCHEMBL18821185 0.87 KCNH2 (0.38) KCNH2TMEM97SIGMAR1KDM4EHTR2C
SCHEMBL18909756 0.86 KDM4E (0.38) KCNH2TAS1R3TAS1R1KDM4EHTR2C
SCHEMBL18907016 0.85 TAS1R3 (0.39) TAS1R3TAS1R1KDM4EHTR2CHTR2A
SCHEMBL18964830 0.84 KCNH2 (0.39) KCNH2TMEM97SIGMAR1TAS1R3TAS1R1
SCHEMBL21231886 0.84 TAS1R3 (0.39) TAS1R3TAS1R1KDM4E
SCHEMBL18909763 0.83 TAS1R3 (0.39) TAS1R3TAS1R1KDM4EHTR2CHTR2A
SCHEMBL18909753 0.83 TAS1R3 (0.39) TAS1R3TAS1R1KDM4EHTR2CHTR2A
SCHEMBL21231883 0.80 PGR (0.40) TAS1R3TAS1R1KDM4EHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
WO-2017091600-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 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-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 KCNH2 4441/4885TMEM97 4016/4885SIGMAR1 4601/4885

“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.