SCHEMBL22490437

SCHEMBL22490437

O=C(COc1ccc(CO)cc1)N1CCC(Oc2cccc(OC(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.44
NTRK1 P04629 3/20 0.43
NTRK3 Q16288 2/20 0.43
NTRK2 Q16620 2/20 0.43
KCNH2 Q12809 2/20 0.43
EPHX2 P34913 2/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL22493047 0.91 EPHX2 (0.51) KMT2AMAPTMEN1HRH3RAB9A
SCHEMBL19703169 0.88 ALDH1A1 (0.50) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19702699 0.88 ALDH1A1 (0.50) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19702752 0.87 GAA (0.53) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19702684 0.87 ALDH1A1 (0.51) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19702681 0.87 GAA (0.53) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19702686 0.86 KMT2A (0.44) KMT2AMAPTMEN1RAB9ASMN1; SMN2
SCHEMBL19702655 0.85 ALDH1A1 (0.49) KMT2AMAPTMEN1HRH3RAB9A
SCHEMBL19702645 0.85 ALDH1A1 (0.49) KMT2AMAPTMEN1HRH3RAB9A
SCHEMBL19702692 0.85 ALDH1A1 (0.49) KMT2AMAPTMEN1HRH3RAB9A

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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME GDD THERAPEUTICS, LLC (US) 2020-10-01 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-20200306248-A1 FORMULATIONS FOR SUBSTITUTED 3-PYRROLIDINES, COMPOSITIONS CONTAINING, AND USES OF, SAME SLC7A1, ABCG2, SLC46A1 KMT2A 4536/4885MAPT 2779/4885MEN1 3103/4885

“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.