SCHEMBL25540934

SCHEMBL25540934

O=C(Cc1ccc(O)cc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
ESR1 P03372 1/20 0.56
SHBG P04278 1/20 0.56
ESR2 Q92731 1/20 0.56
PIK3CA P42336 5/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL6195039 0.85 MAPT (0.59) NPC1RAB9APIK3CAMAPTMEN1
SCHEMBL7029291 0.78 PIK3CA (0.70) NPC1RAB9APIK3CAMAPTMEN1
SCHEMBL1404500 0.77 MAPK1 (0.65) NPC1RAB9AESR1SHBGESR2
SCHEMBL29514772 0.77 ESR1 (0.81) NPC1RAB9AESR1SHBGESR2
SCHEMBL3586687 0.77 ESR1 (0.81) NPC1RAB9AESR1SHBGESR2
SCHEMBL3956227 0.77 ESR1 (0.65) NPC1RAB9AESR1SHBGESR2
SCHEMBL5725840 0.75 RAB9A (1.00) NPC1RAB9AESR1SHBGESR2
SCHEMBL10649146 0.75 RAB9A (1.00) NPC1RAB9AESR1SHBGESR2
SCHEMBL4449153 0.74 ERCC5 (0.62) RAB9AMAPTMEN1CYP3A4HPGD
SCHEMBL9526213 0.74 ALDH1A1 (0.71) MAPTMEN1CYP3A4HPGDKMT2A

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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 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-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR NPC1 523/4885RAB9A 1014/4885ESR1 4591/4885

“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.