SCHEMBL16387349

SCHEMBL16387349

C#C[C@]1(O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.61
▸ LMNA P02545 5/20 0.61
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ NR3C2 P08235 5/20 0.58
▸ NR3C1 P04150 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ PGR P06401 3/20 0.58
▸ SERPINA6 P08185 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ SHBG P04278 3/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ NFKB1 P19838 2/20 0.58
▸ HSD11B1 P28845 2/20 0.54
▸ HSD11B2 P80365 2/20 0.54
▸ AR P10275 2/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ THRB P10828 1/20 0.52

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
SCHEMBL15079260 1.00 HIF1A (0.61) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL16387355 0.87 HIF1A (0.57) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL17591544 0.87 HIF1A (0.57) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL16387364 0.87 HIF1A (0.57) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL17634428 0.85 HIF1A (0.54) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL16389277 0.85 HIF1A (0.54) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL16387356 0.85 HIF1A (0.54) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL16387366 0.85 HIF1A (0.54) HIF1ALMNASMN1; SMN2NR3C2NR3C1
SCHEMBL10868441 0.84 SHBG (0.70) HIF1ALMNASMN1; SMN2NR3C1CYP2C19
SCHEMBL10892430 0.84 SHBG (0.70) HIF1ALMNASMN1; SMN2NR3C1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296780-B2 Process for alkynylating 16-substituted-17-keto steroids CRYSTAL PHARMA, S.A.U. (ES) 2016-03-29 — — US disclosed
US-9296780-B2 Process for alkynylating 16-substituted-17-keto steroids CRYSTAL PHARMA, S.A.U. (ES) 2016-03-29 — — US disclosed
EP-2794632-B1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS CRYSTAL PHARMA SAU (ES) 2016-03-16 — — EP disclosed
US-20150005518-A1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS CRYSTAL PHARMA, S.A.U. (ES) 2015-01-01 — — US disclosed
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 553/4885SMN1; SMN2 2574/4885

“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