SCHEMBL16613937

SCHEMBL16613937

C[C@]12C/C(=C/O)C(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.59
▸ LMNA P02545 2/20 0.59
▸ NR3C1 P04150 6/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ CYP2C19 P33261 3/20 0.56
▸ PGR P06401 3/20 0.56
▸ SERPINA6 P08185 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ NR3C2 P08235 2/20 0.56
▸ NFKB1 P19838 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ SHBG P04278 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ AR P10275 2/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ ABCB11 O95342 1/20 0.49
▸ TNF P01375 1/20 0.49
▸ IL6 P05231 1/20 0.49
▸ GLUL P15104 1/20 0.49

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
SCHEMBL13148408 1.00 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL21278181 1.00 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL13148413 0.92 HIF1A (0.58) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL13102558 0.92 HIF1A (0.58) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL3403972 0.83 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL3403977 0.83 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL13152903 0.83 HIF1A (0.59) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL13152830 0.83 NR3C1 (0.50) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL1626382 0.82 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19
SCHEMBL1626384 0.82 HIF1A (0.84) HIF1ALMNANR3C1HSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954265-B2 Structures and mechanism for the design of highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2021-03-23 — — US disclosed
EP-3049089-B1 HIGHLY POTENT GLUCOCORTICOIDS VAN ANDEL RES INSTITUTE (US) 2019-08-21 — — EP disclosed
US-9975918-B2 Highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
US-9975918-B2 Highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
WO-2018071736-A1 STRUCTURES AND MECHANISM FOR THE DESIGN OF HIGHLY POTENT GLUCOCORTICOIDS VAN ANDEL RESEARCH INSTITUTE (US) 2018-04-19 — — WO disclosed
US-20160251393-A1 Highly Potent Glucocorticoids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 — — US disclosed
US-20160251393-A1 Highly Potent Glucocorticoids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 — — US disclosed
WO-2015048316-A1 HIGHLY POTENT GLUCOCORTICOIDS VAN ANDEL RESEARCH INSTITUTE (US) 2015-04-02 — — WO 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-20160251393-A1 Highly Potent Glucocorticoids NR3C1, NR3C2, MC2R HIF1A 4230/4885LMNA 4563/4885NR3C1 1/4885
US-10954265-B2 Structures and mechanism for the design of highly potent glucocorticoids NR3C1, NR3C2, MC2R HIF1A 4696/4885LMNA 4459/4885NR3C1 1/4885

“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.

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