SCHEMBL21612980

SCHEMBL21612980

CC(C)C(C)C(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
AOC3 Q16853 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
NFKB1 P19838 2/20 0.42
CYP1A2 P05177 1/20 0.42
PNMT P11086 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 4/20 0.39
HIF1A Q16665 3/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
CYP2C19 P33261 2/20 0.38
BLM P54132 2/20 0.38
CYP2C9 P11712 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
SCHEMBL12744755 0.86 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL19121577 0.86 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL19574904 0.86 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL9908235 0.86 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL22911512 0.77 ADRB2 (0.43) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL9746507 0.77 ADRB2 (0.43) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL24725717 0.76 ADRB2 (0.46) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL320794 0.76 P2RX7 (0.47) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL13145151 0.76 P2RX7 (0.47) ADRB2ADRB1AOC3CYP3A4CYP2D6
SCHEMBL17069234 0.76 TSHR (0.50) ADRB2ADRB1AOC3CYP3A4CYP2D6

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-10525030-B2 Phenyl carbamate compound and a composition for neuroprotection comprising the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2020-01-07 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-10525030-B2 Phenyl carbamate compound and a composition for neuroprotection comprising the same CHAT, BAX, CASP3 ADRB2 3595/4885ADRB1 2777/4885AOC3 887/4885

“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.