SCHEMBL17754267

SCHEMBL17754267

CC(C)(C)OC(=O)C1CCC(C2CCC(C(=O)O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
BTK Q06187 1/20 0.42
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
TSHR P16473 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL5264559 0.94 HRH3 (0.46) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL1072603 0.94 HRH3 (0.46) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL10328238 0.94 HRH3 (0.46) HRH3BTKKMT2AHSD17B10SMN1; SMN2
Ethylene Glycol SCHEMBL1297229 0.87 KMT2A (0.43) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL1295721 0.85 HRH3 (0.51) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL28492122 0.85 HRH3 (0.51) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL186721 0.85 HRH3 (0.51) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL1409871 0.85 BTK (0.47) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL7891258 0.85 BTK (0.50) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL18873494 0.84 HRH3 (0.40) HRH3BTKKMT2AHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME DIC CORPORATION (JP) 2016-05-19 US 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-20160137921-A1 POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION PRODUCED USING SAME RCC1, LPXN, SMC4 HRH3 3714/4885BTK 2583/4885KMT2A 2308/4885

“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.