SCHEMBL1410641

SCHEMBL1410641

CCOC(=O)CCC1CCC(c2cccc(C(F)(F)F)c2OC)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ TDP1 Q9NUW8 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CTSS P25774 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ RORC P51449 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CMA1 P23946 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
SCHEMBL1410140 0.89 KDM4E (0.39) KDM4ETDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL1409454 0.88 SLC6A2 (0.37) KDM4EALDH1A1GAAKMT2ACTSS
SCHEMBL1410352 0.84 KMT2A (0.41) KDM4ETDP1ALDH1A1MAPK1L3MBTL1
SCHEMBL1409489 0.84 SLC6A2 (0.41) KDM4ETDP1ALDH1A1GAAKMT2A
SCHEMBL1409948 0.78 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3RORC
SCHEMBL1410321 0.76 ALDH1A1 (0.46) ALDH1A1GAAKMT2ARORCPOLB
SCHEMBL1410548 0.76 RORC (0.43) KDM4EALDH1A1EPHX2SLC6A2SLC6A4
SCHEMBL1410194 0.75 SLC6A2 (0.36) TDP1ALDH1A1EPHX2SLC6A2SLC6A4
SCHEMBL1410234 0.74 RBP4 (0.39) EPHX2SLC6A2SLC6A4SLC6A3RORC
SCHEMBL1410134 0.73 ALDH1A1 (0.38) KDM4ETDP1ALDH1A1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 — — EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 — — US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 — — 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L KDM4E 641/4885TDP1 4453/4885ALDH1A1 270/4885

“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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