SCHEMBL21138385

SCHEMBL21138385

CC1CC(C(=O)OCc2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C1OC(=S)n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ CYP26A1 O43174 1/20 0.33
▸ F2 P00734 1/20 0.31
▸ CYP24A1 Q07973 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ FKBP1A P62942 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ STS P08842 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ HTR2C P28335 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
SCHEMBL21057412 0.84 — —
SCHEMBL21057413 0.84 — —
SCHEMBL21138147 0.84 CYP26A1 (0.37) NAMPTHPGDCYP26A1CYP24A1STS
SCHEMBL21138912 0.77 HPGD (0.42) NAMPTHPGDTSHRFKBP1ATDP1
SCHEMBL12397956 0.73 — —
SCHEMBL19916995 0.72 HPGD (0.42) NAMPTHPGDTSHRFKBP1ATDP1
SCHEMBL12397933 0.71 RECQL (0.31) SMN1; SMN2
SCHEMBL21138390 0.69 HPGD (0.41) NAMPTHPGDTSHRFKBP1ASTS
SCHEMBL12397951 0.69 — —
SCHEMBL3185280 0.69 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 — — 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A NAMPT 289/4885HPGD 252/4885CYP26A1 1653/4885

“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.

Send feedback