SCHEMBL3881844

SCHEMBL3881844

CCOC(=O)C(F)=C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.38
ALDH1A1 P00352 6/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 4/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26870653 0.83 MAPT (0.36) TSHRRECQLALDH1A1GAAMAPT
SCHEMBL448146 0.81 TSHR (0.43) TSHRRECQLALDH1A1GAAMAPT
SCHEMBL3879787 0.80 TSHR (0.42) TSHRRECQLALDH1A1GAAMAPT
SCHEMBL24454451 0.79 ALDH1A1 (0.41) TSHRALDH1A1LMNAPOLBKMT2A
SCHEMBL13949382 0.79 OPRM1 (0.36) MAPTLMNAKMT2ANPSR1KDM4E
SCHEMBL13827111 0.79 TSHR (0.41) TSHRRECQLALDH1A1GAAMAPT
SCHEMBL3884546 0.79 TSHR (0.41) TSHRRECQLALDH1A1GAAMAPT
SCHEMBL27173003 0.77 OPRM1 (0.35) MAPTLMNAKMT2ANPSR1KDM4E
Hydrochloric Acid SCHEMBL26124624 0.77 ADORA1 (0.37) MAPTKMT2AKDM4EMEN1
SCHEMBL21061394 0.75 ALDH1A1 (0.37) TSHRRECQLALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 TSHR 232/4885RECQL 4442/4885ALDH1A1 1468/4885

“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.