SCHEMBL3450853

SCHEMBL3450853

O=C(CCC(=O)Oc1cccc(Cl)c1)Oc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
KDM4E B2RXH2 2/20 0.46
WDR5 P61964 1/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OGG1 O15527 1/20 0.45
FAAH O00519 1/20 0.45
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL27348590 0.90 FAAH (0.50) KDM4EKMT2AALDH1A1FAAH
SCHEMBL28654490 0.88 KDM4E (0.43) BCHERXRARXRBRXRGKDM4E
SCHEMBL6691263 0.87 BCHE (0.47) BCHERXRARXRBRXRGKDM4E
SCHEMBL27713200 0.87 KDM4E (0.43) BCHERXRARXRBRXRGKDM4E
SCHEMBL11800597 0.85 ALDH1A1 (0.44) BCHERXRARXRBRXRGKDM4E
SCHEMBL646091 0.85 KMT2A (0.55) RXRARXRBRXRGKMT2AALDH1A1
SCHEMBL103462 0.85 BCHE (0.41) BCHERXRARXRBRXRGKDM4E
SCHEMBL19331388 0.85 WDR5 (0.47) BCHERXRARXRBRXRGKDM4E
SCHEMBL11680457 0.85 ACHE (0.61) BCHERXRARXRBRXRGKDM4E
SCHEMBL28755167 0.84 KMT2A (0.43) BCHERXRARXRBRXRGKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820692-B2 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2010-10-26 US disclosed
US-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2009-11-05 US disclosed
CN-100503571-C Tetrahydro isoquinoline derivative and its preparation process and medicine use UNIV CHINA PHARMA (CN) 2009-06-24 CN disclosed
EP-2045243-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF China Pharmaceutical University (CN) 2009-04-08 EP disclosed
CN-1887872-A Tetrahydro isoquinoline derivative and its prepn process and medicine use UNIV CHINA PHARMACY (CN) 2007-01-03 CN 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-20090275607-A1 Tetrahydro isoquinoline derivatives, preparation methods and medicinal uses thereof OPRK1, OPRD1, OPRL1 BCHE 1556/4885RXRA 924/4885RXRB 1084/4885

“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.