SCHEMBL16389277

SCHEMBL16389277

C=C1C[C@H]2C3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@]1(O)C#CSC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 9/20 0.54
▸ LMNA P02545 4/20 0.54
▸ NR3C1 P04150 5/20 0.52
▸ NR3C2 P08235 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ SERPINA6 P08185 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ PGR P06401 2/20 0.52
▸ SHBG P04278 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NFKB1 P19838 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ AR P10275 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ HSD11B1 P28845 2/20 0.49
▸ HSD11B2 P80365 2/20 0.49
▸ BLM P54132 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL17634428 1.00 HIF1A (0.54) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387366 0.86 HIF1A (0.54) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387356 0.86 HIF1A (0.54) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387364 0.85 HIF1A (0.57) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387355 0.85 HIF1A (0.57) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL17591544 0.85 HIF1A (0.57) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387349 0.85 HIF1A (0.61) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL15079260 0.85 HIF1A (0.61) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387365 0.80 HIF1A (0.51) HIF1ALMNANR3C1NR3C2SMN1; SMN2
SCHEMBL16387353 0.80 HIF1A (0.51) HIF1ALMNANR3C1NR3C2SMN1; SMN2

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-20150005518-A1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS CRYSTAL PHARMA, S.A.U. (ES) 2015-01-01 — — 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-20150005518-A1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS HSD17B7, NR3C2, CYP17A1 HIF1A 3954/4885LMNA 553/4885NR3C1 12/4885

“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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