SCHEMBL4572292

SCHEMBL4572292

Cc1cccc2c1cnn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ATR Q13535 2/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PDE9A O76083 1/20 0.37
MAP3K5 Q99683 1/20 0.36

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
SCHEMBL19637212 0.84 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1193030 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1141884 0.84 RXRA (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL476884 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL168052 0.84 DDB1 (0.51) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31628652 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29416187 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL156398 0.84 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21230708 0.84 CYP4F2 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21518580 0.83 RXRA (0.43) CYP4F2CYP4A11RXRARXRBRXRG

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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK CYP4F2 1654/4885CYP4A11 219/4885RXRA 4155/4885

“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.