SCHEMBL5789239

SCHEMBL5789239

Cn1c(-c2ccc(C(=O)O)cc2)cc2cc(Cl)c(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.46
PHGDH O43175 6/20 0.46
RPA1 P27694 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
SRD5A2 P31213 1/20 0.41
RHEB Q15382 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL22004113 0.84 ACLY (0.60) ACLYPHGDHRXRARXRBTSHR
SCHEMBL3381195 0.81 ACLY (0.51) ACLYPHGDHRXRARXRBTSHR
SCHEMBL31400972 0.81 ACLY (0.51) ACLYPHGDHRXRARXRBTSHR
SCHEMBL9868370 0.77 RARB (0.60) RXRARXRB
SCHEMBL5332167 0.76 KMT2A (0.60) ACLYKMT2AKDM4E
SCHEMBL22004112 0.70 ACLY (0.57) ACLYPHGDHRXRARXRBTSHR
SCHEMBL22004299 0.70 ACLY (0.59) ACLYPHGDH
SCHEMBL22005118 0.70 ACLY (0.55) ACLYKMT2A
SCHEMBL6707155 0.70 MAPT (0.46) ACLYKDM4ENPC1RAB9A
SCHEMBL22004304 0.70 ACLY (0.63) ACLYPHGDHRXRARXRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACLY 2364/4885PHGDH 2415/4885RPA1 4135/4885

“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.