SCHEMBL18173680

SCHEMBL18173680

COc1cccc2cc([C@@](C)(N)CC(=O)O)oc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
ADORA2A P29274 3/20 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
SCHEMBL18173682 1.00 KMT2A (0.56) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL20389614 0.89 KMT2A (0.55) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL18180635 0.89 KMT2A (0.55) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL18173710 0.78 KMT2A (0.46) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL18173713 0.78 KMT2A (0.46) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL18173712 0.78 KMT2A (0.46) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL11887407 0.76 LMNA (0.54) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL978037 0.74 LMNA (0.77) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL7055795 0.73 LMNA (0.71) KMT2AALDH1A1LMNARECQLNPC1
SCHEMBL10669176 0.73 LMNA (0.58) KMT2AALDH1A1LMNARECQLNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870635-B2 Compounds and their use as BACE1 inhibitors ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2020-12-22 US disclosed
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2018-07-19 US disclosed
EP-3250035-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS Allgenesis Biotherapeutics Inc. (TW) 2017-12-06 EP disclosed
WO-2016172255-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS ALLGENESIS BIOTHERAPEUTICS, INC. (TW) 2016-10-27 WO 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 (2 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-10870635-B2 Compounds and their use as BACE1 inhibitors BACE1, BACE2, APP KMT2A 3744/4885ALDH1A1 2022/4885LMNA 291/4885
US-20180201604-A1 COMPOUNDS AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP KMT2A 3811/4885ALDH1A1 2025/4885LMNA 282/4885

“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.