SCHEMBL4296495

SCHEMBL4296495

O=C(Cc1cccc(O)c1)c1ccc(O)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.44
PIK3CA P42336 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ESR1 P03372 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
TYR P14679 1/20 0.40
ENPP2 Q13822 1/20 0.40
HDAC6 Q9UBN7 3/20 0.39
HDAC1 Q13547 2/20 0.39
PLAU P00749 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6584846 0.82 CA12 (0.53) CTBP2CA1CA2CA9NPC1
SCHEMBL2937591 0.80 NPC1 (0.56) CTBP2ESR1NPC1RAB9AMAPT
SCHEMBL4833396 0.77 CTBP2 (0.56) CTBP2CA1CA2CA9NPC1
SCHEMBL24403579 0.76 HTT (0.50) CTBP2NPC1RAB9AMAPTLMNA
SCHEMBL31390314 0.74 ESR1 (0.53) CTBP2PIK3CACA1CA2CA7
SCHEMBL14855930 0.74 ESR1 (0.53) CTBP2PIK3CACA1CA2CA7
SCHEMBL1515876 0.74 CA12 (0.57) CTBP2CA1CA2CA9NPC1
SCHEMBL30396060 0.74 CA12 (0.57) CTBP2CA1CA2CA9NPC1
SCHEMBL29379505 0.73 ESR1 (0.49) ESR1MAPTHDAC6
SCHEMBL27697248 0.72 MAPT (0.60) CTBP2PIK3CAESR1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF NOVOGEN RESEARCH PTY LTD (AU) 2009-09-17 US 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-20090233999-A1 COMPOSITIONS AND THERAPEUTIC METHODS INVOLVING ISOFLAVONES AND ANALOGUES THEREOF SHBG, OAT, APOB CTBP2 2120/4885PIK3CA 756/4885CA1 1147/4885

“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.