SCHEMBL1423552

SCHEMBL1423552

Cc1ccc(OC2CCCCO2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 4/20 0.39
GLA P06280 1/20 0.39
PDE4B Q07343 2/20 0.39
SYK P43405 1/20 0.39
RAB9A P51151 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 3/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 3/20 0.35

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
SCHEMBL818901 0.85 RAB9A (0.44) PTPN1ALDH1A1MAPTPDE4BSYK
SCHEMBL16518358 0.85 MAPK1 (0.43) PTPN1ALDH1A1MAPTPDE4BRAB9A
SCHEMBL7772772 0.85 RAB9A (0.44) PTPN1ALDH1A1MAPTPDE4BSYK
SCHEMBL7242085 0.84 NPC1 (0.46) PTPN1PDE4BRAB9ANPC1GAA
SCHEMBL22320334 0.84 PDE4B (0.40) PTPN1ALDH1A1MAPTPDE4BSYK
SCHEMBL12831493 0.82 PTPN1 (0.39) PTPN1PDE4BRAB9ANPC1L3MBTL1
SCHEMBL1423902 0.82 NPC1 (0.41) PTPN1ALDH1A1PDE4BRAB9ANPC1
SCHEMBL1423603 0.82 L3MBTL1 (0.42) PTPN1PDE4BRAB9ANPC1L3MBTL1
SCHEMBL7161254 0.82 PTPN1 (0.41) PTPN1PDE4BSMN1; SMN2
SCHEMBL723314 0.82 PDE4B (0.39) PTPN1ALDH1A1MAPTPDE4BSYK

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
WO-2019189287-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME 住友化学株式会社 2019-10-03 WO disclosed
US-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2011-09-15 US disclosed
EP-2297131-A2 DI-SUBSTITUTED PHENYL COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009158467-A2 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS PDE10A, PDE1A, PDE12 PTPN1 919/4885ALDH1A1 1272/4885MAPT 182/4885

“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.