SCHEMBL5700435

SCHEMBL5700435

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2C(O)C[C@@]2(C)[C@H]1CCC2(O)C(F)(F)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.67
LMNA P02545 2/20 0.67
NR3C2 P08235 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
NR3C1 P04150 3/20 0.64
PGR P06401 3/20 0.64
CYP2C19 P33261 2/20 0.64
HSD17B10 Q99714 2/20 0.64
SERPINA6 P08185 2/20 0.64
CYP3A4 P08684 2/20 0.64
NFKB1 P19838 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.64
SHBG P04278 1/20 0.64
AR P10275 1/20 0.59
CHRM1 P11229 1/20 0.59
HSD11B1 P28845 2/20 0.55
HSD11B2 P80365 2/20 0.55
PMP22 Q01453 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL5700430 1.00 HIF1A (0.67) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL5700286 0.93 HIF1A (0.71) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL5700292 0.93 HIF1A (0.71) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL5700534 0.85 SHBG (0.71) HIF1ALMNASMN1; SMN2NR3C1PGR
SCHEMBL5700529 0.85 SHBG (0.71) HIF1ALMNASMN1; SMN2NR3C1PGR
SCHEMBL9650590 0.84 HIF1A (0.77) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL8342173 0.84 HIF1A (0.77) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL6804668 0.84 HIF1A (0.77) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL8342176 0.84 HIF1A (0.77) HIF1ALMNANR3C2SMN1; SMN2NR3C1
SCHEMBL18885151 0.84 HIF1A (0.77) HIF1ALMNANR3C2SMN1; SMN2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322660-B1 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2006-08-30 EP claimed
US-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-05 US claimed
US-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-05 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-20040024231-A1 17Alpha fluoroalkyl steroids, method for producing the same and pharmaceutical compositions containing said compounds CYP17A1, CYP21A2, NR5A1 HIF1A 2910/4885LMNA 3272/4885NR3C2 37/4885

“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.