SCHEMBL3649005

SCHEMBL3649005

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.72
NR3C2 P08235 8/20 0.72
NR3C1 P04150 4/20 0.72
HSD17B10 Q99714 3/20 0.72
PGR P06401 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
SERPINA6 P08185 3/20 0.72
CYP2C19 P33261 2/20 0.72
SHBG P04278 2/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 2/20 0.72
NFKB1 P19838 2/20 0.72
KMT2A Q03164 2/20 0.72
LMNA P02545 4/20 0.61
BLM P54132 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 1/20 0.59

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
SCHEMBL10597597 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10062395 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10597610 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL147438 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141636 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL8712243 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL27991637 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141635 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10497312 0.89 HIF1A (0.70) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10062789 0.89 HIF1A (0.64) HIF1ANR3C2NR3C1HSD17B10PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178726-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-07-12 US disclosed
EP-2207788-A1 STEROIDAL [3, 2-C]PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY AstraZeneca AB (SE) 2010-07-21 EP disclosed
WO-2009044200-A1 STEROIDAL [3, 2-C] PYRAZOLE COMPOUNDS, WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2009-04-09 WO disclosed
EP-0042451-B1 PROCESS FOR THE PREPARATION OF 11-BETA-HYDROXY STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-06-22 EP disclosed
US-4353985-A FERMENTATION WITH CURVULARIA SCHERING AKTIENGESELLSCHAFT (DE) 1982-10-12 US disclosed
US-4021459-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy 20-keto-pregnenes SCHERING CORPORATION (US) 1977-05-03 US disclosed
US-3992422-A Process for the preparation of 21-halogeno-21-desoxy-17α-acyloxy-20-keto-pregnenes SCHERING CORPORATION (US) 1976-11-16 US disclosed
US-3980680-A Process for the preparation of 21-desoxy-17-acyloxy-4-pregnenes and of 21-iodo-21-desoxy-17-acyl oxy-4-pregnene intermediates useful therein SCHERING CORPORATION (US) 1976-09-14 US disclosed
US-3956349-A TRIETHYL ORTHOACETATE, ACID CATALYST SYNTEX (U.S.A.) INC. (US) 1976-05-11 US disclosed
US-3947409-A 16-Alkyl-1,4,9(11)-pregnatrienes and 9,11-epoxides thereof MERCK & CO., INC. (US) 1976-03-30 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-20120178726-A1 NOVEL COMPOUNDS F12, C1R, CXCR4 HIF1A 2414/4885NR3C2 546/4885NR3C1 511/4885

“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.