SCHEMBL7523008

SCHEMBL7523008

FC(F)(F)c1ccc(C(Br)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
KIF11 P52732 1/20 0.52
PDPK1 O15530 1/20 0.46
BACE1 P56817 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
HSD11B1 P28845 1/20 0.44
KCNK2 O95069 1/20 0.44
KCNH2 Q12809 1/20 0.44
CACNA1C Q13936 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CNR2 P34972 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL4428819 0.91 GSK3B (0.48) ACP3ALDH1A1TSHRKIF11TRPV6
SCHEMBL10358705 0.83 GSK3B (0.42) ACP3ALDH1A1TSHRKIF11GSK3B
SCHEMBL7523154 0.82 IDO1 (0.56) ACP3ALDH1A1TSHROPRM1OPRD1
SCHEMBL12880577 0.81 CES2 (0.48) TSHR
SCHEMBL28495393 0.80 TSHR (0.56) ACP3ALDH1A1TSHRKIF11PDPK1
SCHEMBL8317456 0.79 ACP3 (0.51) ACP3ALDH1A1TSHRKIF11PDPK1
SCHEMBL28756974 0.79 SRD5A2 (0.65) ACP3PDPK1GSK3B
SCHEMBL477694 0.78 ACP3 (0.59) ACP3ALDH1A1TSHRKIF11PDPK1
SCHEMBL4154570 0.78 ACP3 (0.55) ACP3ALDH1A1TSHRKIF11PDPK1
SCHEMBL17071860 0.78 ACP3 (0.55) ACP3ALDH1A1TSHRKIF11TRPV6

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ACP3 4506/4885ALDH1A1 1662/4885TSHR 179/4885

“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.