SCHEMBL5369549

SCHEMBL5369549

COC(=O)[C@H](CC=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ PTPN1 P18031 3/20 0.44
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ SLC16A3 O15427 1/20 0.42
▸ SLC16A1 P53985 1/20 0.42
▸ CNR2 P34972 1/20 0.39
▸ CETP P11597 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 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
SCHEMBL5354041 0.87 CNR2 (0.50) CRHBPCRHR2PTPN1KMT2AMEN1
SCHEMBL5354047 0.87 CNR2 (0.50) CRHBPCRHR2PTPN1KMT2AMEN1
SCHEMBL8725080 0.84 CRHBP (0.48) CRHBPCRHR2PTPN1MTNR1AMTNR1B
SCHEMBL3168058 0.79 KMT2A (0.59) KMT2AMEN1TSHR
SCHEMBL20274587 0.79 KMT2A (0.59) KMT2AMEN1TSHR
SCHEMBL20826236 0.77 HDAC4 (0.44) KMT2AMEN1CNR2
SCHEMBL20826431 0.76 KMT2A (0.44) KMT2AMEN1
SCHEMBL20826237 0.75 KMT2A (0.45) KMT2AMEN1
SCHEMBL14445159 0.75 KMT2A (0.42) KMT2AMEN1
SCHEMBL8725168 0.73 CRHBP (0.52) CRHBPCRHR2PTPN1MTNR1AMTNR1B

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-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 — — US disclosed
US-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-12-25 — — 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-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts NAT1, AOX1, ALDH7A1 CRHBP 4725/4885CRHR2 4806/4885PTPN1 4173/4885

“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.

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