SCHEMBL22964337

SCHEMBL22964337

Oc1cccc(OCc2ccc(F)cc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
MAOB P27338 3/20 0.46
NPC1 O15118 1/20 0.46
APP P05067 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45

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
SCHEMBL11276165 0.84 NR4A2 (0.68) NR4A2NR4A1NR4A3RAB9AALDH1A1
SCHEMBL4638512 0.84 MAOB (0.50) NR4A2NR4A1NR4A3RAB9AALDH1A1
SCHEMBL28569278 0.84 RAB9A (0.47) NR4A2NR4A1NR4A3RAB9AALDH1A1
SCHEMBL2558815 0.83 NR4A2 (0.46) NR4A2NR4A1NR4A3RAB9AALDH1A1
SCHEMBL22597102 0.82 MMP1 (0.49) MAOBAPPCYP3A4ESR1ESR2
SCHEMBL4638507 0.81 NR4A2 (0.60) NR4A2NR4A1NR4A3RAB9AALDH1A1
SCHEMBL12517232 0.80 MAOA (0.64) NR4A2NR4A1NR4A3RAB9AALDH1A1
SCHEMBL2983086 0.78 MAOB (0.50) NR4A2NR4A1NR4A3RAB9AMAOB
SCHEMBL6979333 0.78 HTR6 (0.46) NR4A2NR4A1NR4A3RAB9AMAOB
SCHEMBL13709217 0.77 NR4A2 (0.43) NR4A2NR4A1NR4A3RAB9AMAOB

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-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-20210040072-A1 NTCP Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-02-11 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-20210040072-A1 NTCP Inhibitors HAVCR2, NPC1, HMGCR NR4A2 515/4885NR4A1 374/4885NR4A3 234/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR NR4A2 515/4885NR4A1 374/4885NR4A3 234/4885

“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.