SCHEMBL16319092

SCHEMBL16319092

COC(=O)c1cc(OCC(C)C)c(-c2cc(OC)ccc2F)[n+]([O-])c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
PELP1 Q8IZL8 1/20 0.39
DHODH Q02127 1/20 0.37
XDH P47989 1/20 0.35
FFAR1 O14842 3/20 0.35
PDE4B Q07343 1/20 0.35
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
IDH2 P48735 1/20 0.34

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
SCHEMBL16319427 0.78 FFAR1 (0.44) ARPELP1DHODHXDHFFAR1
SCHEMBL20361789 0.73 AR (0.53) ARPELP1XDHPDE4BCA1
SCHEMBL16319266 0.71 FFAR1 (0.44) DHODHXDHFFAR1IDH2
SCHEMBL16319386 0.71 CTSA (0.43) DHODHXDHFFAR1KMT2APOLB
SCHEMBL4279508 0.69 MAPT (0.60) ARPELP1PDE4BKMT2ASMN1; SMN2
SCHEMBL16318846 0.69 FFAR1 (0.43) XDHFFAR1IDH2
SCHEMBL2312214 0.68 CA1 (0.43) KMT2ANPC1POLBRAB9ABLM
SCHEMBL16319046 0.67 XDH (0.43) ARPELP1XDHKMT2ANPC1
SCHEMBL22724715 0.67 CA1 (0.59) FFAR1KMT2ANPC1POLBRAB9A
SCHEMBL16473757 0.66 CA1 (0.46) KMT2ANPC1POLBRAB9ABLM

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-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 EP 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 AR 75/4885PELP1 2608/4885DHODH 3343/4885

“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.