SCHEMBL6796472

SCHEMBL6796472

NC(CCCO)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX2 P34913 1/20 0.42
CASP3 P42574 2/20 0.38
HTR2A P28223 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 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
SCHEMBL19878656 0.92 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL17941346 0.89 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL30682785 0.88 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL22095619 0.88 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL4163755 0.88 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2
SCHEMBL30512339 0.88 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
SCHEMBL6369931 0.88 KMT2A (0.47) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL6518503 0.86 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL8575036 0.86 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL30195896 0.86 KMT2A (0.57) KMT2AFABP5FABP7CA1CA2

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-20040014676-A1 SRC kinase inhibitors useful for treating osteoporosis ARIAD PHARMACEUTICALS INC. 2004-01-22 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-20040014676-A1 SRC kinase inhibitors useful for treating osteoporosis SRC, CTTN, YES1 KMT2A 1865/4885FABP5 2465/4885FABP7 4354/4885

“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.