SCHEMBL20944746

SCHEMBL20944746

COc1cc(Br)c(C(=O)NC2CCCCCCC2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
KDM1A O60341 1/20 0.52
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
POLB P06746 1/20 0.50
ALPL P05186 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50

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
SCHEMBL20944758 1.00 ALDH1A1 (0.76) ALDH1A1HPGDL3MBTL1RAB9AMEN1
SCHEMBL20944749 1.00 ALDH1A1 (0.76) ALDH1A1HPGDL3MBTL1RAB9AMEN1
SCHEMBL24163448 0.99 ALDH1A1 (0.74) ALDH1A1HPGDL3MBTL1RAB9AMEN1
SCHEMBL20944673 0.85 KMT2A (0.58) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL12515312 0.82 ALDH1A1 (0.91) ALDH1A1HPGDL3MBTL1RAB9AMEN1
SCHEMBL28684615 0.82 RAB9A (0.61) ALDH1A1HPGDL3MBTL1RAB9AMEN1
SCHEMBL20944692 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20944694 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL27536780 0.81 ALDH1A1 (0.68) ALDH1A1HPGDL3MBTL1RAB9ACYP1A2
SCHEMBL19445756 0.80 ALDH1A1 (0.81) ALDH1A1HPGDL3MBTL1RAB9AMEN1

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-10399979-B2 Janus kinase inhibitors and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-03 US disclosed
US-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2019-05-02 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 (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-20190127377-A1 JANUS KINASE INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 ALDH1A1 2307/4885HPGD 2521/4885L3MBTL1 955/4885
US-10399979-B2 Janus kinase inhibitors and uses thereof JAK2, JAK1, JAK3 ALDH1A1 2307/4885HPGD 2521/4885L3MBTL1 955/4885

“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.