SCHEMBL16020569

SCHEMBL16020569

CC(O)C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.78
▸ LMNA P02545 2/20 0.78
▸ NR3C1 P04150 7/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ PGR P06401 2/20 0.74
▸ SERPINA6 P08185 2/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ NFKB1 P19838 2/20 0.74
▸ MAPT P10636 2/20 0.74
▸ NR3C2 P08235 2/20 0.74
▸ SHBG P04278 1/20 0.74
▸ KMT2A Q03164 1/20 0.74
▸ AR P10275 1/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ PMP22 Q01453 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ POLB P06746 1/20 0.63
▸ GAA P10253 1/20 0.63

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
SCHEMBL11814284 0.94 HIF1A (0.81) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL7614974 0.91 HIF1A (0.77) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL8071547 0.91 HIF1A (0.77) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL9437393 0.90 HIF1A (0.75) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL29064801 0.89 HIF1A (0.73) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL603002 0.88 HIF1A (0.69) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL607956 0.88 HIF1A (0.72) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL7519660 0.88 HIF1A (0.75) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL1626384 0.88 HIF1A (0.84) HIF1ALMNANR3C1SMN1; SMN2CYP2C19
SCHEMBL139280 0.88 HIF1A (1.00) HIF1ALMNANR3C1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256696-A1 Steroid conjugates ALLERGAN, INC. (US) 2014-09-11 — — US disclosed
US-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS ALLERGAN, INC. (US) 2014-09-11 — — 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 (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-20140256660-A1 ANTIBIOTIC CONJUGATES LINKED WITH STEROID DRUGS CYP21A2, CYP17A1, CYP46A1 HIF1A 4665/4885LMNA 3242/4885NR3C1 576/4885
US-20140256696-A1 Steroid conjugates CYP21A2, CYP17A1, HSD17B2 HIF1A 4514/4885LMNA 3852/4885NR3C1 82/4885

“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