SCHEMBL16629667

SCHEMBL16629667

CCc1cc(=O)oc2ccc(C(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 1/20 0.58
▸ HSD17B3 P37058 2/20 0.49
▸ TSHR P16473 5/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ DYRK1A Q13627 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.41

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
SCHEMBL18014738 0.87 PON1 (0.58) PON1HSD17B3KDM4EALDH1A1DYRK1A
SCHEMBL15842829 0.79 MCL1 (0.58) PON1HSD17B3KDM4EALDH1A1NPSR1
SCHEMBL10602435 0.79 HSD17B3 (0.53) PON1HSD17B3TSHRKDM4EALDH1A1
SCHEMBL21116465 0.78 TP53 (0.46) MAPTSMN1; SMN2
SCHEMBL6186050 0.78 PON1 (0.47) PON1HSD17B3KDM4EALDH1A1NPSR1
SCHEMBL15842227 0.77 TSHR (0.66) PON1HSD17B3TSHRKDM4EALDH1A1
SCHEMBL10792047 0.76 HSD17B3 (0.76) HSD17B3TSHRKDM4EALDH1A1NPSR1
SCHEMBL16619452 0.75 PON1 (0.41) PON1HSD17B3KDM4EALDH1A1NPSR1
SCHEMBL22044994 0.73 EPHX2 (0.47) KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL20274266 0.73 MEN1 (0.39) KMT2AMEN1

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
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 — — EP disclosed
US-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2016-08-11 — — US disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER 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-20160229847-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS BACE1, BACE2, PSEN2 PON1 3182/4885HSD17B3 1419/4885TSHR 3989/4885

“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.

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