SCHEMBL9895027

SCHEMBL9895027

O=C(O)Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.57
RXRG P48443 10/20 0.57
RXRB P28702 9/20 0.57
PSEN1 P49768 1/20 0.57
PSEN2 P49810 1/20 0.57
APH1B Q8WW43 1/20 0.57
NCSTN Q92542 1/20 0.57
APH1A Q96BI3 1/20 0.57
PSENEN Q9NZ42 1/20 0.57
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
PPARD Q03181 3/20 0.50
KDM1A O60341 1/20 0.50
HDAC1 Q13547 1/20 0.50
CYP2C9 P11712 1/20 0.49
PPARA Q07869 1/20 0.47
FDPS P14324 1/20 0.47
MAP4K4 O95819 1/20 0.44
KIF11 P52732 1/20 0.43

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
SCHEMBL28178691 0.85 RXRA (0.70) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL30646805 0.85 RXRA (0.50) RXRARXRGRXRBCYP11B1CYP11B2
SCHEMBL29087758 0.85 RXRA (0.50) RXRARXRGRXRBCYP11B1CYP11B2
SCHEMBL9926848 0.83 CYP11B1 (0.60) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL29617616 0.83 CYP11B1 (0.60) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL24499977 0.83 CYP11B2 (0.57) RXRARXRGRXRBCYP11B1CYP11B2
SCHEMBL30530575 0.83 CYP11B2 (0.57) RXRARXRGRXRBCYP11B1CYP11B2
SCHEMBL491483 0.83 RXRA (0.71) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL4591858 0.81 CYP11B1 (0.51) RXRARXRGRXRBPSEN1PSEN2
SCHEMBL2272003 0.81 RXRA (0.77) RXRARXRGRXRBPSEN1PSEN2

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
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed
US-20120149694-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-14 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-20120149694-A1 Substituted piperidines VHL, PIR, PIGO RXRA 1842/4885RXRG 2353/4885RXRB 2122/4885

“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.