SCHEMBL25004560

SCHEMBL25004560

CC1(C)OB([C@H]2C[C@@H]2c2ccc(OC(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
RCOR1 Q9UKL0 1/20 0.40
SLC6A4 P31645 7/20 0.36
MAOB P27338 1/20 0.35
CCR6 P51684 5/20 0.33
KCNH2 Q12809 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A2 P23975 1/20 0.33
EPHX2 P34913 1/20 0.32
LIPE Q05469 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
SCHEMBL23993928 1.00 KDM1A (0.40) KDM1ARCOR1SLC6A4MAOBCCR6
SCHEMBL23994512 1.00 KDM1A (0.40) KDM1ARCOR1SLC6A4MAOBCCR6
SCHEMBL30181555 1.00 KDM1A (0.40) KDM1ARCOR1SLC6A4MAOBCCR6
SCHEMBL30224756 0.85 FFAR1 (0.38) KDM1AEPHX2LIPE
SCHEMBL25005864 0.83 MMP13 (0.34) LIPE
SCHEMBL30181625 0.83 MMP13 (0.34) LIPE
SCHEMBL25005863 0.83 MMP13 (0.34) LIPE
SCHEMBL23994266 0.83 MMP13 (0.34) LIPE
SCHEMBL3745573 0.82 KDM1A (0.49) KDM1ASLC6A4MAOBSLC6A3SLC6A2
SCHEMBL30181639 0.82 LIPE (0.34) SLC6A4LIPE

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
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E KDM1A 2052/4885RCOR1 4471/4885SLC6A4 1120/4885

“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.