SCHEMBL16018296

SCHEMBL16018296

C[C@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCOC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3[C@@H](O)C[C@@]21C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.65
LMNA P02545 3/20 0.65
CYP3A4 P08684 7/20 0.64
NR3C1 P04150 6/20 0.64
CYP2C9 P11712 1/20 0.64
CNR1 P21554 1/20 0.64
TBXA2R P21731 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PGR P06401 3/20 0.60
ALDH1A1 P00352 1/20 0.60
CHRM1 P11229 2/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
CHRM3 P20309 1/20 0.59
HRH1 P35367 1/20 0.59
PIN1 Q13526 1/20 0.59
CHRM2 P08172 1/20 0.59
MAPT P10636 1/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 2/20 0.58

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
SCHEMBL16018300 1.00 HIF1A (0.65) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16018298 0.99 HIF1A (0.66) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16018299 0.98 HIF1A (0.62) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16018295 0.98 HIF1A (0.62) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16018294 0.96 HIF1A (0.64) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16018297 0.96 HIF1A (0.64) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16020593 0.95 HIF1A (0.62) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16018305 0.95 HIF1A (0.62) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16007329 0.95 HIF1A (0.62) HIF1ALMNACYP3A4NR3C1CYP2C9
SCHEMBL16007204 0.95 HIF1A (0.62) HIF1ALMNACYP3A4NR3C1CYP2C9

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
WO-2014138437-A1 STEROID CONJUGATES ALLERGAN, INC. (US) 2014-09-12 WO disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 US disclosed
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 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-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 HIF1A 4514/4885LMNA 3852/4885CYP3A4 45/4885

“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.