SCHEMBL17411368

SCHEMBL17411368

CCOC(=O)C(C)(C)Cc1ccccc1CF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
PIN1 Q13526 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.40
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
TAAR1 Q96RJ0 3/20 0.38
LMNA P02545 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARA Q07869 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL28008239 0.89 MMP8 (0.48) MMP8PIN1ALDH1A1RECQLPOLB
SCHEMBL17411323 0.84 POLB (0.43) MMP8PIN1ALDH1A1RECQLPOLB
SCHEMBL16078862 0.82 MAPK1 (0.42) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL16044519 0.82 KDM4E (0.49) MMP8ALDH1A1POLBNPSR1MEN1
SCHEMBL28008232 0.82 CYP4F2 (0.47) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL12802659 0.81 RIPK1 (0.49) MMP8PIN1ALDH1A1RECQLPOLB
SCHEMBL28008263 0.81 MMP8 (0.44) MMP8PIN1ALDH1A1RECQLPOLB
SCHEMBL29798734 0.80 MEN1 (0.48) MMP8ALDH1A1POLBTSHRLMNA
SCHEMBL29798733 0.80 MEN1 (0.48) MMP8ALDH1A1POLBTSHRLMNA
SCHEMBL14874337 0.80 MEN1 (0.48) MMP8ALDH1A1POLBTSHRLMNA

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-9382238-B2 Pyridine derivatives as rearranged during transfection (RET) kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-07-05 US disclosed
US-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-01-07 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-20160002215-A1 PYRIDINE DERIVATIVES AS REARRANGED DURING TRANSFECTION (RET) KINASE INHIBITORS RET, FER, NTRK1 MMP8 3988/4885PIN1 2250/4885ALDH1A1 2429/4885

“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.