SCHEMBL19972846

SCHEMBL19972846

COC(Cc1ccc(Br)cc1)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
HTR2A P28223 1/20 0.38
MAOB P27338 1/20 0.38
CYP2A6 P11509 1/20 0.36
PYCR1 P32322 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL7008859 0.83 IDO1 (0.33) IDO1L3MBTL1MEN1NPC1GAA
SCHEMBL1738833 0.80 IDO1 (0.40) IDO1L3MBTL1MEN1NPC1GAA
SCHEMBL5088767 0.76 SLC6A2 (0.50) IDO1TAAR1ALDH1A1
SCHEMBL799906 0.73 ESR1 (0.58) IDO1TAAR1HTR2ACYP2A6PYCR1
SCHEMBL22527739 0.72 TLR7 (0.36) MEN1MAPTKMT2A
SCHEMBL3412195 0.71 MAOB (0.38) IDO1L3MBTL1MEN1NPC1GAA
SCHEMBL5185744 0.70 KMT2A (0.41) L3MBTL1MEN1NPC1MAPTRAB9A
SCHEMBL12433178 0.70 IDO1 (0.43) IDO1L3MBTL1MEN1NPC1GAA
SCHEMBL1737226 0.70 ESR1 (0.43) IDO1TAAR1HTR2ACYP2A6PYCR1
SCHEMBL8851233 0.70 TAAR1 (0.40) IDO1MEN1KMT2ATAAR1HTR2A

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-20190216726-A1 Particles, Compositions and Methods for Ophthalmic and/or Other Applications OXFORD FINANCE LLC 2019-07-18 US disclosed
WO-2018053321-A1 PARTICLES, COMPOSITIONS, AND METHODS FOR OPHTHALMIC AND/OR OTHER APPLICATIONS KALA PHARMACEUTICALS, INC. (US) 2018-03-22 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 (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-20190216726-A1 Particles, Compositions and Methods for Ophthalmic and/or Other Applications MUC1, RAB5IF, PDE6C IDO1 4171/4885L3MBTL1 4874/4885MEN1 2561/4885

“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.