SCHEMBL15079253

SCHEMBL15079253

C=C1CC2C(CC[C@@]3(C)C2CC(=C)[C@]3(O)C(C)=O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
NR3C1 P04150 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CYP2C19 P33261 3/20 0.49
SHBG P04278 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
SERPINA6 P08185 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
CYP17A1 P05093 1/20 0.49
MAPK3 P27361 1/20 0.49
BLM P54132 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PGR P06401 5/20 0.47
AR P10275 4/20 0.47
CHRM1 P11229 3/20 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
SCHEMBL10444770 1.00 LMNA (0.49) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL10444897 1.00 LMNA (0.49) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL15079258 1.00 LMNA (0.49) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL13965592 0.86 LMNA (0.67) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL572198 0.86 LMNA (0.67) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL10867348 0.85 SHBG (0.69) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL148415 0.85 SHBG (0.69) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL10867342 0.85 SHBG (0.69) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL295690 0.84 LMNA (0.51) LMNANR3C1MEN1KMT2ACYP2C19
SCHEMBL10900154 0.83 LMNA (0.70) LMNANR3C1MEN1KMT2ACYP2C19

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 6 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
WO-2013092668-A1 PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS CRYSTAL PHARMA, S.A.U. (ES) 2013-06-27 WO 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 LMNA 553/4885NR3C1 12/4885MEN1 196/4885

“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.