Sugi Predict

Sugi Predict / Compounds / SCHEMBL4019623

SCHEMBL4019623

SCHEMBL4019623

CC1(C)OC(=O)c2ccc(Oc3ccc(C=O)cc3F)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ TTR P02766 1/20 0.38
▸ MAPK14 Q16539 2/20 0.36
▸ MAOB P27338 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSPB1 P04792 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGS2 P35354 1/20 0.32

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
SCHEMBL4026332 0.86 MAOB (0.37) KMT2AALDH1A1MAOBHSD17B10CASP1
SCHEMBL20187352 0.84 KMT2A (0.39) KMT2AALDH1A1TTRMAOBHSD17B10
SCHEMBL1814220 0.81 KMT2A (0.41) KMT2AALDH1A1HSD17B10MEN1MAPT
SCHEMBL4020149 0.75 CARM1 (0.41) KMT2AALDH1A1MAPK14MAOBMEN1
SCHEMBL4018621 0.74 CARM1 (0.39) MAPK14MAOB
SCHEMBL8549646 0.74 TTR (0.51) KMT2AALDH1A1TTRMAOBMEN1
SCHEMBL26236493 0.73 TTR (0.50) KMT2AALDH1A1TTRMEN1POLB
SCHEMBL6897658 0.73 ALDH1A1 (0.58) KMT2AALDH1A1MAPK14MAOBHSD17B10
SCHEMBL1814052 0.72 KMT2A (0.41) KMT2AALDH1A1HSD17B10MAPTTSHR
SCHEMBL9904833 0.72 TTR (0.43) KMT2AALDH1A1TTRMEN1POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 — — US disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 — — US disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 — — US disclosed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 — — EP disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 — — US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 — — US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 — — WO disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 — — US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 — — 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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KMT2A 1698/4885ALDH1A1 492/4885TTR 4006/4885

“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.