SCHEMBL22493089

SCHEMBL22493089

O=C(COc1ccc(CO)cc1)N1CC[C@H](Oc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.50
MDH1 P40925 1/20 0.49
MDH2 P40926 1/20 0.49
ADRB2 P07550 1/20 0.49
ENPP2 Q13822 5/20 0.47
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A5 Q9Y345 2/20 0.44
PRKAA2 P54646 1/20 0.43
LIPG Q9Y5X9 2/20 0.43
LIPC P11150 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL19702689 1.00 LIPE (0.50) LIPEMDH1MDH2ADRB2ENPP2
SCHEMBL22493047 0.89 EPHX2 (0.51) EPHX2ALDH1A1GAAMAPTRAB9A
SCHEMBL19702699 0.89 ALDH1A1 (0.50) ENPP2EPHX2ALDH1A1GAAMAPT
SCHEMBL19703169 0.89 ALDH1A1 (0.50) ENPP2EPHX2ALDH1A1GAAMAPT
SCHEMBL19702685 0.88 MAPT (0.58) ADRB2EPHX2ALDH1A1GAAMAPT
SCHEMBL19702687 0.86 ALDH1A1 (0.46) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19702646 0.86 KMT2A (0.55) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19702931 0.86 KMT2A (0.55) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19702653 0.86 KMT2A (0.55) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL19702683 0.85 POLB (0.52) ALDH1A1GAARAB9ASMN1; SMN2L3MBTL1

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 LIPE 2948/4885MDH1 300/4885MDH2 577/4885

“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.