SCHEMBL3246457

SCHEMBL3246457

COC(=O)Cc1cc(O)c2cc(OC(F)(F)F)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSP90AB1 P08238 1/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 3/20 0.40
LMNA P02545 1/20 0.40
BACE1 P56817 1/20 0.40
CSNK1D P48730 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NLRP3 Q96P20 1/20 0.39
IDH1 O75874 1/20 0.38
PIM1 P11309 1/20 0.38
PPM1A P35813 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
SCHEMBL2176876 0.85 CYP11B1 (0.51) SMN1; SMN2HSP90AB1GAAALDH1A1GFER
SCHEMBL2334076 0.85 MEN1 (0.48) KMT2AMEN1SMN1; SMN2HSP90AB1L3MBTL1
SCHEMBL2175522 0.82 HSP90AB1 (0.45) KMT2AMEN1SMN1; SMN2HSP90AB1GAA
SCHEMBL2171906 0.81 HSP90AB1 (0.50) KMT2AMEN1SMN1; SMN2HSP90AB1GAA
SCHEMBL27828543 0.80 TRPV1 (0.40) ALDH1A1TRPV1BCL2L1MRGPRX4NLRP3
SCHEMBL11467699 0.79 HSP90AB1 (0.50) SMN1; SMN2HSP90AB1GAAALDH1A1GFER
SCHEMBL2175327 0.78 HSP90AB1 (0.49) KMT2AMEN1HSP90AB1GAAALDH1A1
SCHEMBL9682203 0.76 MEN1 (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27237496 0.76 MEN1 (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL2171172 0.76 HSP90AB1 (0.53) KMT2AMEN1SMN1; SMN2HSP90AB1GAA

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-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 KMT2A 2762/4885MEN1 3750/4885SMN1; SMN2 4014/4885

“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.