SCHEMBL4097265

SCHEMBL4097265

Nc1ccc(CC(=O)O)cc1.O=C(Cl)c1cc(-c2ccccc2)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 2/20 0.44
HIF1A Q16665 2/20 0.43
SCD O00767 2/20 0.43
SCD5 Q86SK9 2/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL892678 0.82 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13901817 0.79 MAPT (0.60) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL1476942 0.74 FAAH (0.80) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1178695 0.72 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL39103 0.71 CA2 (0.62) ALDH1A1HPGDMAPTABCC4LMNA
SCHEMBL1331730 0.71 CA2 (0.62) ALDH1A1HPGDMAPTABCC4LMNA
SCHEMBL5283705 0.70 NOTUM (0.67) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL17789551 0.70 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10545373 0.70 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2678323 0.70 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1NPC1RAB9A

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885KMT2A 3833/4885MEN1 3233/4885

“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.