SCHEMBL5787754

SCHEMBL5787754

COc1ccc(C(=O)O)cc1-c1cc2ccccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
LMNA P02545 3/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MAOB P27338 1/20 0.48
TTR P02766 1/20 0.48
ERN1 O75460 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
HPSE Q9Y251 1/20 0.46
RAB9A P51151 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 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
SCHEMBL979776 0.84 MAOB (0.55) CA12CA1CA2CA4CA6
SCHEMBL6794186 0.79 ABCG2 (0.53) LMNAMAOBCYP1A1CYP1B1RAB9A
SCHEMBL6788300 0.79 ABCG2 (0.53) LMNAMAOBCYP1A1CYP1B1RAB9A
SCHEMBL6788295 0.79 ABCG2 (0.53) LMNAMAOBCYP1A1CYP1B1RAB9A
SCHEMBL3985729 0.78 AHR (0.59) MIFLMNAMAOBERN1CYP1A1
SCHEMBL4460928 0.78 MAOB (0.53) CA12CA1CA4CA6CA7
SCHEMBL8889523 0.77 PDE4D (0.61) LMNAMAOBHPGDALDH1A1MAPT
SCHEMBL30285970 0.77 CSNK2A1 (0.52) CA12CA1CA4CA6CA7
Potassium SCHEMBL31668788 0.77 MAOB (0.51) CA12CA1CA4CA6CA7
SCHEMBL402416 0.75 CA12 (0.62) LMNACA12CA1CA2CA4

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
US-20060205751-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 US claimed
EP-1648885-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP claimed
WO-2005009993-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 WO claimed
US-20060205751-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 US disclosed
EP-1648885-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005009993-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-03 WO disclosed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 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-20060205751-A1 Novel compounds KCNN2, KCNN3, KCNN1 MIF 4768/4885LMNA 2299/4885CA12 1996/4885

“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.