SCHEMBL18154892

SCHEMBL18154892

O=C(OCC1c2ccccc2-c2ccccc21)OC(=O)[C@]1(O)CCCN1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
CASP3 P42574 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL18154903 0.85 KMT2A (0.39) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL21874034 0.80 KMT2A (0.37) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL6650809 0.78 KMT2A (0.47) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL8907523 0.77 DDB1 (0.46) KMT2A
SCHEMBL71530 0.77 DDB1 (0.46) KMT2A
SCHEMBL15058849 0.76 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30851322 0.76 FABP5 (0.43) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL44676 0.73 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL7767154 0.72 FABP5 (0.54) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29598813 0.72 FABP5 (0.54) KMT2AFABP5FABP7EPHX2CA1

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-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-12 US disclosed
EP-3283480-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-02-21 EP disclosed
WO-2016166186-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 WO 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-20180099937-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS SMYD2, SETD2, SMYD3 KMT2A 31/4885FABP5 3856/4885FABP7 4596/4885

“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.