SCHEMBL1410134

SCHEMBL1410134

CCOC(=O)CCC1CCC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ RORC P51449 2/20 0.36
▸ KCNN4 O15554 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GSR P00390 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 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
SCHEMBL1410365 0.93 FFAR1 (0.38) ALDH1A1RORCKCNN4USP2ALOX15
SCHEMBL1410194 0.92 SLC6A2 (0.36) ALDH1A1RORCKCNN4USP2ALOX15
SCHEMBL1410321 0.89 ALDH1A1 (0.46) ALDH1A1RORCKCNN4SMN1; SMN2POLB
SCHEMBL1410779 0.84 LMNA (0.41) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL1410139 0.84 LMNA (0.41) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL1410337 0.84 LMNA (0.41) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL1410548 0.81 RORC (0.43) ALDH1A1RORCKCNN4KDM4ECYP11B1
SCHEMBL1409948 0.80 SLC6A2 (0.39) RORCSLC6A2SLC6A4SLC6A3
SCHEMBL1410313 0.79 ALDH1A1 (0.38) ALDH1A1RORCKCNN4USP2ALOX15
SCHEMBL1410504 0.78 RXRA (0.42) RORCSLC6A2SLC6A4SLC6A3

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 ALDH1A1 270/4885RORC 97/4885KCNN4 1948/4885

“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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