SCHEMBL26036814

SCHEMBL26036814

Cc1ccccc1-c1ccccc1OC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ ELANE P08246 2/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ ADRA2A P08913 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ ADRA1A P35348 1/20 0.37

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
SCHEMBL16060611 0.91 ELANE (0.49) KMT2AMEN1AKR1C3AKR1C2ELANE
SCHEMBL1261877 0.85 MEN1 (0.51) KMT2AMEN1ELANEALOX15L3MBTL1
SCHEMBL19355097 0.83 FABP7 (0.48) KMT2AMEN1AKR1C3AKR1C2ELANE
SCHEMBL7553861 0.82 AKR1C3 (0.42) KMT2AMEN1AKR1C3AKR1C2ADRA2A
SCHEMBL237313 0.82 AKR1C3 (0.42) KMT2AMEN1AKR1C3AKR1C2ADRA2A
SCHEMBL15547599 0.81 ALOX15 (0.55) KMT2AMEN1ELANEALOX15ADRA2A
SCHEMBL23518659 0.81 FABP3 (0.49) KMT2AMEN1ELANEL3MBTL1TDP1
SCHEMBL237316 0.80 AKR1C3 (0.44) KMT2AMEN1AKR1C3AKR1C2TDP1
SCHEMBL5280480 0.80 KDM4E (0.52) KMT2AMEN1ALOX15TDP1LMNA
Bromide SCHEMBL16050020 0.79 ALOX15 (0.53) KMT2AMEN1ELANEALOX15ADRA2A

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-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-29 — — 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-11739047-B2 Alpha-truxillic acid derivatives and pharmaceutical compositions thereof FABP1, FABP2, FABP4 KMT2A 4609/4885MEN1 4880/4885AKR1C3 3753/4885

“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.

Send feedback