SCHEMBL2903882

SCHEMBL2903882

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.68
NR3C2 P08235 7/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
NR3C1 P04150 3/20 0.68
HSD17B10 Q99714 3/20 0.68
PGR P06401 3/20 0.68
SERPINA6 P08185 3/20 0.68
CYP3A4 P08684 3/20 0.68
CYP2C19 P33261 2/20 0.68
KMT2A Q03164 2/20 0.68
SHBG P04278 2/20 0.68
MAPT P10636 2/20 0.68
NFKB1 P19838 2/20 0.68
LMNA P02545 4/20 0.66
AR P10275 1/20 0.61
CHRM1 P11229 1/20 0.61
BLM P54132 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
SLC22A2 O15244 1/20 0.56

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
SCHEMBL21973842 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL19665917 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL2903879 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL14523062 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL19665918 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL15920472 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL15904751 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL17361272 1.00 HIF1A (0.68) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL15920488 0.89 HIF1A (0.67) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10
SCHEMBL18878439 0.88 HIF1A (0.71) HIF1ANR3C2SMN1; SMN2NR3C1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407926-A Administering angiostatic steroid with glucocorticoid, carrier ALCON LABORATORIES, INC. (US) 1995-04-18 US claimed
EP-4295908-A2 NEUROACTIVE STEROID FORMULATIONS COMPRISING A COMPLEX OF ALLOPREGNANOLONE AND SULFOBUTYL ETHER BETA-CYCLODEXTRIN Sage Therapeutics, Inc. (US) 2023-12-27 EP disclosed
US-20230355639-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230225975-A1 DEXAMETHASONE PRODRUG COMPOSITIONS AND USES THEREOF RIPPLE THERAPEUTICS CORPORATION (CA) 2023-07-20 US disclosed
US-20230149424-A1 NEUROACTIVE STEROID FORMULATIONS AND METHODS OF TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230141665-A1 NEUROACTIVE STEROID SOLUTIONS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-05-11 US disclosed
WO-2023079362-A1 PROCESSABLE COMPOSITIONS AND USE FOR THE SAME RIPPLE THERAPEUTICS CORPORATION (CA) 2023-05-11 WO disclosed
US-11554125-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2023-01-17 US disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed
US-11279729-B2 Heterodimer compositions and methods for the treatment of ocular disorders RIPPLE THERAPEUTICS CORPORATION (CA) 2022-03-22 US disclosed
EP-1741779-A2 Inhibition of migration inhibitory factor in the treatment of diseases involving cytokine mediated toxicity THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2007-01-10 EP disclosed
US-6998238-B2 Method for determining MIF content CYTOKINE PHARMASCIENCES, INC. (US) 2006-02-14 US disclosed
WO-2006008092-A1 USE OF A STEROID FOR ENHANCEMENT OF SKIN PERMEABILITY NOVARTIS AG (CH) 2006-01-26 WO disclosed
US-20050187188-A1 Methods for the treatment of a traumatic central nervous system injury EMORY UNIVERSITY (US) 2005-08-25 US disclosed
US-20040053843-A1 Inhibition of migration inhibitory factor in the treatment of diseases involving cytokine-mediated toxicity BAXTER INTERNATIONAL INC. 2004-03-18 US disclosed
US-6645493-B1 Treatment of disease caused by cytokine-mediated toxicity; anti-Migration Inhibitory Factor (MIF) antibody THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2003-11-11 US disclosed
US-20030099653-A1 Inhibition of migration inhibitory factor in the treatment of diseases involving cytokine-mediated toxicity BAXTER INTERNATIONAL INC. 2003-05-29 US disclosed
US-20020072509-A1 Methods for the treatment of a traumatic central nervous system injury EMORY UNIVERSITY 2002-06-13 US disclosed
US-6080407-A CYTOKINE-MEDIATED TOXICITY COMPRISING ADMINISTERING TO A PATIENT AN EFFECTIVE AMOUNT OF AN ANTI-MACROPHAGE MIGRATION INHIBITORY FACTOR; GRAFT VERSUS HOST DISEASE, ANTISHOCK, -INFLAMMATORY AGENTS; AUTOIMMUNE DISEASES; THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-06-27 US disclosed
US-6030615-A Combination method for treating diseases caused by cytokine-mediated toxicity THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-02-29 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 (6 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-20230149424-A1 NEUROACTIVE STEROID FORMULATIONS AND METHODS OF TREATING CNS DISORDERS NR3C2, NR3C1, HSD3B1 HIF1A 4420/4885NR3C2 1/4885SMN1; SMN2 1102/4885
US-20230355639-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF GAP43, CYP17A1, HSD3B1 HIF1A 1510/4885NR3C2 16/4885SMN1; SMN2 1739/4885
US-11279729-B2 Heterodimer compositions and methods for the treatment of ocular disorders CRYAB, UACA, CRYAA HIF1A 509/4885NR3C2 519/4885SMN1; SMN2 4655/4885
US-11554125-B2 Neuroactive steroids, compositions, and uses thereof GAP43, CYP17A1, HSD3B1 HIF1A 1510/4885NR3C2 16/4885SMN1; SMN2 1739/4885
US-20230141665-A1 NEUROACTIVE STEROID SOLUTIONS AND THEIR METHODS OF USE SHBG, CRH, NR3C2 HIF1A 3716/4885NR3C2 3/4885SMN1; SMN2 304/4885
US-20230225975-A1 DEXAMETHASONE PRODRUG COMPOSITIONS AND USES THEREOF NR3C1, NR3C2, CYP21A2 HIF1A 1543/4885NR3C2 2/4885SMN1; SMN2 992/4885

“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.