SCHEMBL23747134

SCHEMBL23747134

CCCC(=O)CCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 6/20 0.48
MAPT P10636 6/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 5/20 0.47
THRB P10828 3/20 0.47
LMNA P02545 3/20 0.47
THRA P10827 2/20 0.47
TSHR P16473 2/20 0.46
PAOX Q6QHF9 1/20 0.44
MPI P34949 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL28005538 0.90 GLA (0.69) GLASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL8524267 0.87 THRB (0.53) GLASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL14002787 0.86 GLA (0.60) GLASMN1; SMN2RAB9AALDH1A1MAPT
Water SCHEMBL27813121 0.86 THRB (0.52) GLASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL15475535 0.80 GLA (0.58) GLASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL15475537 0.80 GLA (0.58) GLASMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL12897872 0.79 PAOX (0.54) GLAALDH1A1MAPTKMT2ATHRB
SCHEMBL28191332 0.79 TSHR (0.56) SMN1; SMN2MAPTPOLBKMT2ALMNA
SCHEMBL1286679 0.78 GLA (0.64) GLASMN1; SMN2RAB9AALDH1A1MAPT
Bromide SCHEMBL30245626 0.77 GLA (0.58) GLASMN1; SMN2ALDH1A1MAPTPOLB

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-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity MERCK PATENT GMBH (DE) 2021-08-12 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-20210244736-A1 Methods for Treating Cancer Using Pyrimidine and Pyridine Compounds with BTK Inhibitory Activity BTK, SYK, LCK GLA 2791/4885SMN1; SMN2 4593/4885RAB9A 2813/4885

“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.