SCHEMBL18504893

SCHEMBL18504893

COC(=O)C(C)C1CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.39
▸ CA14 Q9ULX7 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ TSHR P16473 3/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL12534071 0.89 — —
SCHEMBL13616798 0.89 — —
SCHEMBL7250543 0.82 DPP4 (0.38) THRBCA14SMN1; SMN2TSHRTP53
SCHEMBL10149357 0.82 EPHX2 (0.40) THRBCA14SMN1; SMN2TSHRTP53
SCHEMBL4953927 0.82 POLB (0.41) THRBCA14SMN1; SMN2TSHRTP53
SCHEMBL12290766 0.81 THRB (0.46) THRBCA14SMN1; SMN2TSHRTP53
SCHEMBL11443344 0.81 THRB (0.46) THRBCA14SMN1; SMN2TSHRTP53
SCHEMBL15776933 0.81 THRB (0.46) THRBCA14SMN1; SMN2TSHRTP53
SCHEMBL16837890 0.79 THRB (0.36) THRBCA14SMN1; SMN2TSHR
SCHEMBL7632176 0.79 TP53 (0.47) THRBSMN1; SMN2TSHRTP53ALDH1A1

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
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 — — US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 — — 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-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP THRB 4775/4885CA14 4321/4885SMN1; SMN2 1/4885

“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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