SCHEMBL4351238

SCHEMBL4351238

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ LMNA P02545 2/20 0.64
▸ NR3C1 P04150 4/20 0.64
▸ NR3C2 P08235 4/20 0.64
▸ PGR P06401 3/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ SERPINA6 P08185 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SHBG P04278 1/20 0.64
▸ PMP22 Q01453 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ AR P10275 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ POLB P06746 1/20 0.59
▸ GAA P10253 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
SCHEMBL11503559 0.85 NR3C1 (0.64) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL12540616 0.85 HIF1A (1.00) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL12541145 0.85 HIF1A (1.00) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL13960044 0.85 HIF1A (1.00) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL10393928 0.85 HIF1A (1.00) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL10393930 0.85 HIF1A (1.00) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL7664 0.85 HIF1A (1.00) HIF1ASMN1; SMN2LMNANR3C1NR3C2
SCHEMBL4594076 0.84 HIF1A (0.52) HIF1ASMN1; SMN2LMNANR3C1NR3C2
SCHEMBL603002 0.84 HIF1A (0.69) HIF1ASMN1; SMN2LMNANR3C1NR3C2
Hydrocortisone Hemisuccinate Anhydrous SCHEMBL1320103 0.84 HIF1A (0.98) HIF1ASMN1; SMN2LMNANR3C1NR3C2

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
CN-101677957-A Polymer formulations for delivery of bioactive agents CARBYLAN BIOSURGERY INC 2010-03-24 — — CN disclosed
EP-2111860-A1 INFLAMMATION INHIBITOR COMPRISING ZINC SALT OF ACYLAMINO ACID Ajinomoto Co., Inc. (JP) 2009-10-28 — — EP disclosed
CN-1968690-A Inflammation inhibitor containing zinc salt of acylamino acid AJINOMOTO KK (JP) 2007-05-23 — — CN disclosed
US-20070099888-A1 Inflammation Inhibitor Comprising Zinc Salt of Acylamino Acid AJINOMOTO CO., INC. (JP) 2007-05-03 — — 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-20070099888-A1 Inflammation Inhibitor Comprising Zinc Salt of Acylamino Acid NFKBIA, ZNF787, IL17A HIF1A 2020/4885SMN1; SMN2 4800/4885LMNA 4542/4885

“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.

Send feedback