SCHEMBL16631624

SCHEMBL16631624

CCCCOc1nc(F)c(Br)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GALR3 O60755 1/20 0.34
LMNA P02545 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
SCHEMBL16631631 0.75 CA12 (0.36) RARARARBRARGCA12CA1
SCHEMBL18080647 0.74 L3MBTL1 (0.48) THRATHRBPOLBKDM4ELMNA
SCHEMBL16631607 0.71 MEN1 (0.36) RARARARBRARGCA12CA1
SCHEMBL16631718 0.71 GAA (0.35) THRATHRBCYP2C9CYP2C19KDM4E
SCHEMBL2702034 0.71 CNR2 (0.39) THRATHRBCA12CA1CA2
SCHEMBL26011871 0.70 CNR2 (0.46) THRATHRBRARARARBRARG
SCHEMBL13211414 0.69 NUDT1 (0.38) CA12CA1CA2CA9CYP2C9
SCHEMBL13213347 0.69 IKBKB (0.33) THRBCYP2C19POLBKMT2ACYP2D6
SCHEMBL24287530 0.68 MEN1 (0.38) KDM4EMEN1KMT2ALMNATSHR
SCHEMBL16631949 0.68 CCR4 (0.41) CA12CA1CA2CA9CYP2C9

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 THRA 4023/4885THRB 3932/4885RARA 3100/4885

“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.