SCHEMBL3406698

SCHEMBL3406698

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)O)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.81
HIF1A Q16665 7/20 0.81
PGR P06401 6/20 0.81
NR3C1 P04150 5/20 0.81
HSD17B10 Q99714 4/20 0.81
ALDH1A1 P00352 2/20 0.81
ABCB11 O95342 2/20 0.81
NR1I2 O75469 2/20 0.81
ABCC4 O15439 1/20 0.81
PDE4D Q08499 1/20 0.81
AR P10275 3/20 0.74
F2 P00734 1/20 0.74
CYP2C9 P11712 2/20 0.56
TSHR P16473 1/20 0.56
TNF P01375 1/20 0.55
IL6 P05231 1/20 0.55
SERPINA6 P08185 1/20 0.55
NR3C2 P08235 1/20 0.55
GLUL P15104 1/20 0.55
ADAM17 P78536 1/20 0.55

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
SCHEMBL3406702 1.00 CYP3A4 (0.81) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL11691394 0.92 CYP3A4 (0.78) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL11691405 0.92 CYP3A4 (0.78) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL13069748 0.92 HIF1A (0.81) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL11271565 0.92 HIF1A (0.81) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL3397738 0.92 HIF1A (0.81) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL3397741 0.92 HIF1A (0.81) CYP3A4HIF1APGRNR3C1HSD17B10
SCHEMBL21145516 0.90 CYP3A4 (0.78) CYP3A4HIF1APGRNR3C1HSD17B10
Methylprednisolone SCHEMBL5085 0.89 HIF1A (1.00) CYP3A4HIF1APGRNR3C1HSD17B10
Methylprednisolone SCHEMBL21145528 0.89 HIF1A (1.00) CYP3A4HIF1APGRNR3C1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237507-A1 Novel Amide Compounds ASTRAZENECA AB INTELLECTUAL PROPERTY (GB) 2013-09-12 US disclosed
US-20100256104-A1 NOVEL AMIDE COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 US disclosed
EP-0902789-B1 ANDROSTENE DERIVATIVES SOFT DRUGS INC (US) 2002-01-23 EP disclosed
US-5646136-A ADMINISTERING STEROID HAVING ANGIOSTATIC ACTIVITY TO A PATIENT DUKE UNIVERSITY (US) 1997-07-08 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 (2 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-20100256104-A1 NOVEL AMIDE COMPOUNDS H1-4, H1-3, H1-5 CYP3A4 213/4885HIF1A 1464/4885PGR 454/4885
US-20130237507-A1 Novel Amide Compounds H1-4, H1-3, H1-5 CYP3A4 181/4885HIF1A 1279/4885PGR 452/4885

“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.