SCHEMBL16319266

SCHEMBL16319266

COC(=O)c1cc(OCC(C)C)c(-c2cc(OC)ccc2F)nc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.44
CTSA P10619 3/20 0.41
DHODH Q02127 1/20 0.40
XDH P47989 1/20 0.39
GRK6 P43250 1/20 0.38
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
IDH2 P48735 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL16319386 0.89 CTSA (0.43) FFAR1CTSADHODHXDHGRK6
SCHEMBL16319427 0.82 FFAR1 (0.44) FFAR1CTSADHODHXDHIDH2
SCHEMBL16319385 0.82 FFAR1 (0.42) FFAR1CTSADHODHGRK6KDM4E
SCHEMBL16318846 0.77 FFAR1 (0.43) FFAR1CTSAXDHGRK6KDM4E
SCHEMBL16319387 0.74 FFAR1 (0.42) FFAR1CTSAIDH2
SCHEMBL16319092 0.71 AR (0.39) FFAR1DHODHXDHIDH2
SCHEMBL17418806 0.70 FFAR1 (0.50) FFAR1CTSADHODHIDH2
SCHEMBL16318882 0.69 FFAR1 (0.43) FFAR1CTSADHODHGRK6KDM4E
SCHEMBL16319368 0.68 FFAR1 (0.39) FFAR1DHODHGRK6KDM4ECYP2C9
SCHEMBL16319342 0.68 FFAR1 (0.45) FFAR1GRK6KDM4ECYP2C9CYP2C19

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 FFAR1 31/4885CTSA 3367/4885DHODH 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.