SCHEMBL25329142

SCHEMBL25329142

CCc1cc(OCC(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.44
ADRB1 P08588 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
XDH P47989 1/20 0.43
BACE1 P56817 1/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
LMNA P02545 1/20 0.40
MAOB P27338 2/20 0.40
ADRB3 P13945 1/20 0.40
MAOA P21397 1/20 0.40
PDK2 Q15119 1/20 0.40
TRIM24 O15164 1/20 0.40

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
SCHEMBL28974948 0.87 SCN5A (0.37) ADRB2ADRB1ESR1ESR2XDH
SCHEMBL1083387 0.82 ADRB2 (0.61) ADRB2ADRB1ESR1XDHFOS
SCHEMBL15553330 0.82 NQO1 (0.50) ESR1ESR2BACE1LMNA
SCHEMBL19121047 0.81 ALDH1A1 (0.41) XDHFOSJUNLMNAMAOA
SCHEMBL28221888 0.80 ADRB2 (0.47) ADRB2ADRB1XDHLMNAMAOB
SCHEMBL25328657 0.80 GABRA1 (0.39) XDHFOSJUNPDK2
SCHEMBL19440429 0.79 LMNA (0.40) XDHBACE1FOSJUNLMNA
SCHEMBL21327850 0.79 NR1H4 (0.47) XDHFOSJUN
SCHEMBL3720155 0.79 ADRB2 (0.46) ADRB2ADRB1ESR1ESR2XDH
SCHEMBL25329497 0.79 ESR1 (0.53) ADRB2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 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 (2 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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD ADRB2 4700/4885ADRB1 4646/4885ESR1 3959/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ADRB2 1644/4885ADRB1 1076/4885ESR1 2282/4885

“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.