SCHEMBL4496335

SCHEMBL4496335

C=C(C)C(=O)Nc1c(C(=O)O)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 1/20 0.57
TP53 P04637 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 3/20 0.51
HTT P42858 1/20 0.51
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTR2C P28335 1/20 0.47
MAPT P10636 4/20 0.46
HPGD P15428 2/20 0.46
TEAD1 P28347 1/20 0.46
YAP1 P46937 1/20 0.46
TEAD4 Q15561 1/20 0.46
TEAD2 Q15562 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2774243 0.85 TSHR (0.76) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL4499583 0.80 ALDH1A1 (0.51) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL4499589 0.80 ALDH1A1 (0.51) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL4496337 0.76 SMN1; SMN2 (0.63) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL29853112 0.75 LMNA (0.62) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL18702845 0.75 TP53 (0.55) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL29827633 0.73 TP53 (0.77) ALDH1A1TSHRTP53POLBKDM4E
SCHEMBL4495014 0.72 SMN1; SMN2 (0.58) ALDH1A1TSHRTP53POLBHTT
SCHEMBL4495023 0.72 SMN1; SMN2 (0.58) ALDH1A1TSHRTP53POLBHTT
SCHEMBL4496234 0.72 ALDH1A1 (0.51) ALDH1A1TSHRTP53KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 EP 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R ALDH1A1 658/4885TSHR 4622/4885TP53 3460/4885

“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.