SCHEMBL9717205

SCHEMBL9717205

C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(C(=O)C(O)CC(=O)O)=CC[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.50
KCNH2 Q12809 2/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
RGS12 O14924 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL28944685 0.86 NFKB1 (0.54) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL9069884 0.84 NFKB1 (0.58) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL10944464 0.83 NFKB1 (0.55) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL11332229 0.83 CYP19A1 (0.57) CYP19A1CYP17A1
SCHEMBL22038641 0.82 FNTA (0.51) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL8752386 0.80 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL21243060 0.80 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL2120270 0.80 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
SCHEMBL17992570 0.80 FNTA (0.61) NFKB1KCNH2NFKB2RELAFNTA
Acetic Acid SCHEMBL2582613 0.80 FNTA (0.60) NFKB1KCNH2NFKB2RELAFNTA

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116314-A1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE Zhejiang Shenzhou Pharmaceutical Company Limited (CN) 2023-01-11 EP claimed
CN-108912194-B A kind of preparation method of 21-hydroxy-1,4,9(11),16-pregnatetraene-3,20-dione-21-acetate 奥锐特药业股份有限公司 2019-11-19 CN claimed
CN-108912194-A A kind of preparation method of 21-hydroxy-1,4,9(11),16-pregnatetraene-3,20-dione-21-acetate 奥锐特药业股份有限公司 2018-11-30 CN claimed
CN-107814824-A A kind of preparation method of 21-hydroxy-1,4,9(11),16-pregnatetraene-3,20-dione-21-acetate 浙江仙琚制药股份有限公司 2018-03-20 CN claimed
CN-105622699-A Method for preparing tetraene acetate and derivatives thereof HUNAN CHENGDA BIOTECHNOLOGY CO LTD 2016-06-01 CN claimed
CN-105543319-A Method for preparing steroidanti-inflammatory drugintermediatetetraene acetate using enzyme process ENZYMEWORKS INC 2016-05-04 CN claimed
EP-0308412-B1 16$g(a)-METHYLATION PROCESS THE UPJOHN COMPANY (US) 1992-03-18 EP claimed
US-11618766-B2 Method for preparing 16Alpha-hydroxyprednisolone ZHEJIANG SHENZHOU PHARMACEUTICAL COMPANY LIMITED (CN) 2023-04-04 US disclosed
US-11618766-B2 Method for preparing 16Alpha-hydroxyprednisolone ZHEJIANG SHENZHOU PHARMACEUTICAL COMPANY LIMITED (CN) 2023-04-04 US disclosed
US-20230028248-A1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE ZHEJIANG SHENZHOU PHARMACEUTICAL COMPANY LIMITED (CN) 2023-01-26 US disclosed
US-20230028248-A1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE ZHEJIANG SHENZHOU PHARMACEUTICAL COMPANY LIMITED (CN) 2023-01-26 US disclosed
EP-4116314-A1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE Zhejiang Shenzhou Pharmaceutical Company Limited (CN) 2023-01-11 EP disclosed
EP-4116314-A1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE Zhejiang Shenzhou Pharmaceutical Company Limited (CN) 2023-01-11 EP disclosed
CN-106905406-A A kind of preparation technology of Triamcinolone acetonide 河南利华制药有限公司 2017-06-30 CN disclosed
CN-105622699-A Method for preparing tetraene acetate and derivatives thereof HUNAN CHENGDA BIOTECHNOLOGY CO LTD 2016-06-01 CN disclosed
CN-105543319-A Method for preparing steroidanti-inflammatory drugintermediatetetraene acetate using enzyme process ENZYMEWORKS INC 2016-05-04 CN disclosed
CN-102863505-B Process for synthesizing triamcinolone acetonide acetate BAOJI KANGLE BIOTECHNOLOGY CO LTD 2015-03-04 CN disclosed
CN-104231031-A Preparation method of triamcinolone acetonide JIANGXI GANLIANG MEDICINE RAW MATERIAL CO LTD 2014-12-24 CN disclosed
CN-102863505-A Process for synthesizing triamcinolone acetonide acetate BAOJI KANGLE BIOTECHNOLOGY CO LTD 2013-01-09 CN disclosed
CN-101633682-A Refining technique of intermediate acetate arachidonic substance of triamcinolone acetonide series products YANAN ZHU 2010-01-27 CN 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-20230028248-A1 METHOD FOR PREPARING 16ALPHA-HYDROXYPREDNISOLONE HSD17B2, HSD11B1, CYP17A1 NFKB1 733/4885KCNH2 4657/4885NFKB2 1109/4885
US-11618766-B2 Method for preparing 16Alpha-hydroxyprednisolone HSD17B2, HSD11B1, CYP17A1 NFKB1 733/4885KCNH2 4657/4885NFKB2 1109/4885

“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.