SCHEMBL5790565

SCHEMBL5790565

O=C(O)C(=O)Cc1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.67
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
PIK3CA P42336 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 1/20 0.50
PNMT P11086 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ATM Q13315 1/20 0.48
PLAAT3 P53816 2/20 0.48

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
SCHEMBL467923 0.84 CTBP2 (0.66) CTBP2HTR3EHTR3BHTR3AHTR3D
Ammonia Solution, Strong SCHEMBL5702482 0.82 CTBP2 (0.64) CTBP2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2531827 0.82 CTBP2 (0.64) CTBP2HTR3EHTR3BHTR3AHTR3D
Ammonia Solution, Strong SCHEMBL28761900 0.82 CTBP2 (0.64) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11172110 0.82 CTBP2 (0.62) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11252367 0.81 CTBP2 (0.63) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL22616407 0.81 TAAR1 (0.57) ERCC5FEN1HCAR2
SCHEMBL22554367 0.80 MEN1 (0.57) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1350536 0.80 CTBP2 (0.61) CTBP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL10073602 0.79 CTBP2 (0.59) CTBP2HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006015885-A1 AMINO ACID DEHYDROGENASE-DERIVED BIOCATALYSTS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2006-02-16 WO disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed
EP-0206460-B1 L-PHENYLALANINE DEHYDROGENASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1993-08-11 EP disclosed
EP-0513872-A1 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-11-19 EP disclosed
US-4849345-A L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-07-18 US disclosed
EP-0206460-A2 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 EP 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN CTBP2 2430/4885HTR3E 4740/4885HTR3B 4296/4885

“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.