SCHEMBL15836636

SCHEMBL15836636

O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2cc3c(cc2o1)OCO3

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.72
MEN1 O00255 8/20 0.72
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 2/20 0.69
TSHR P16473 2/20 0.69
HPGD P15428 1/20 0.68
POLB P06746 3/20 0.67
USP2 O75604 1/20 0.65
CA12 O43570 5/20 0.62
CA9 Q16790 5/20 0.62

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
SCHEMBL15836637 0.81 KMT2A (1.00) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL15836702 0.81 KMT2A (0.79) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL15836707 0.78 USP2 (0.71) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL12473143 0.78 USP2 (0.74) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL466909 0.78 CA12 (0.83) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL15836633 0.78 TSHR (0.74) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL15836709 0.77 ALDH1A1 (0.73) KMT2AMEN1ALDH1A1USP2CA12
SCHEMBL20588779 0.74 MCL1 (0.61) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL15836705 0.74 MEN1 (0.72) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL2316901 0.73 CYP2D6 (0.82) KMT2AMEN1KDM4EALDH1A1TSHR

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 KMT2A 3667/4885MEN1 3121/4885KDM4E 3370/4885

“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.