SCHEMBL16624228

SCHEMBL16624228

COC(=O)c1cc(Br)c(C2CCC2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK4 Q16654 2/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
YAP1 P46937 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
SOS1 Q07889 1/20 0.36
OPRK1 P41145 6/20 0.36
MYC P01106 1/20 0.35

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
SCHEMBL16055984 0.94 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL16056626 0.86 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL16055337 0.81 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL16056242 0.80 TDP1 (0.43) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL24792466 0.78 KDM4E (0.49) PDK2PDK4GAAKDM4EMAPT
SCHEMBL16056066 0.78 GAA (0.44) PDK2PDK4GAAKDM4EMEN1
SCHEMBL16624236 0.77 OPRK1 (0.38) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL30463075 0.76 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL644516 0.76 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL16055143 0.74 NPC1 (0.44) MEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 US disclosed
US-20150099777-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-09 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-20150099777-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 CA12 1298/4885CA1 1724/4885CA2 684/4885

“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.