SCHEMBL3207235

SCHEMBL3207235

COC(=O)C1OC1c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 1/20 0.42
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX1 P07099 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL30349638 1.00 TSHR (0.45) TSHRL3MBTL1KMT2AOPRK1ALDH1A1
SCHEMBL30349443 1.00 TSHR (0.45) TSHRL3MBTL1KMT2AOPRK1ALDH1A1
SCHEMBL3207241 1.00 TSHR (0.45) TSHRL3MBTL1KMT2AOPRK1ALDH1A1
SCHEMBL7776122 0.84 RIPK1 (0.43) TSHRL3MBTL1KMT2AOPRK1ALDH1A1
SCHEMBL7770852 0.84 RIPK1 (0.43) TSHRL3MBTL1KMT2AOPRK1ALDH1A1
SCHEMBL30349468 0.82 EPHX1 (0.57) TSHRKMT2AALDH1A1EPHX1MAPT
SCHEMBL9690162 0.82 EPHX1 (0.57) TSHRKMT2AALDH1A1EPHX1MAPT
SCHEMBL9692360 0.81 TSHR (0.51) TSHRKMT2AALDH1A1KDM4ENPC1
SCHEMBL9692314 0.81 TSHR (0.45) TSHRL3MBTL1KMT2AALDH1A1KDM4E
SCHEMBL7775675 0.80 EPHX1 (0.46) TSHRKMT2AALDH1A1NPC1EPHX1

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-7671238-B2 Arylamino-arylpropanolamine derivatives and methods of their use WYETH LLC (US) 2010-03-02 US disclosed
US-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use WYETH (US) 2008-04-10 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-20080085938-A1 Arylamino-Arylpropanolamine Derivatives and Methods of Their Use PNMT, PAH, SLC18A2 TSHR 2696/4885L3MBTL1 4375/4885KMT2A 1485/4885

“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.