SCHEMBL15836633

SCHEMBL15836633

O=c1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc3c(cc2o1)CCC3

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.74
USP2 O75604 5/20 0.74
POLB P06746 2/20 0.74
KDM4E B2RXH2 5/20 0.71
SMN1; SMN2 Q16637 2/20 0.68
ALDH1A1 P00352 10/20 0.65
NPSR1 Q6W5P4 3/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 1/20 0.61
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 2/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 2/20 0.54
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL15836707 0.81 USP2 (0.71) TSHRUSP2POLBKDM4ESMN1; SMN2
SCHEMBL12473143 0.81 USP2 (0.74) TSHRUSP2POLBKDM4ESMN1; SMN2
SCHEMBL15836705 0.79 MEN1 (0.72) TSHRUSP2POLBKDM4ESMN1; SMN2
SCHEMBL15836636 0.78 KMT2A (0.72) TSHRUSP2POLBKDM4EALDH1A1
SCHEMBL15836629 0.74 USP2 (1.00) TSHRUSP2POLBSMN1; SMN2ALDH1A1
SCHEMBL15836698 0.74 USP2 (1.00) TSHRUSP2POLBSMN1; SMN2ALDH1A1
SCHEMBL15836703 0.74 USP2 (1.00) TSHRUSP2POLBKDM4ESMN1; SMN2
SCHEMBL108678 0.74 KDM4E (0.70) TSHRUSP2KDM4EKMT2ACYP3A4
SCHEMBL2056152 0.73 KDM4E (0.62) TSHRUSP2POLBKDM4ESMN1; SMN2
SCHEMBL15836704 0.73 USP2 (0.81) TSHRUSP2POLBKDM4ESMN1; SMN2

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 TSHR 3057/4885USP2 1628/4885POLB 3390/4885

“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.