SCHEMBL3403972

SCHEMBL3403972

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)O)[C@@]2(C)C/C(=C/O)C(=O)C=C12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.59
▸ CYP3A4 P08684 7/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NR3C1 P04150 7/20 0.50
▸ PGR P06401 5/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ NR1I2 O75469 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ AR P10275 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 4/20 0.44
▸ CYP2C19 P33261 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL13152903 1.00 HIF1A (0.59) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL3403977 1.00 HIF1A (0.59) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13102560 0.92 HIF1A (0.58) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL16613937 0.83 HIF1A (0.59) HIF1ACYP3A4HSD17B10TSHRNR3C1
SCHEMBL21278181 0.83 HIF1A (0.59) HIF1ACYP3A4HSD17B10TSHRNR3C1
SCHEMBL13148408 0.83 HIF1A (0.59) HIF1ACYP3A4HSD17B10TSHRNR3C1
SCHEMBL3406165 0.82 HIF1A (0.85) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13103471 0.76 HSP90AA1 (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL13150608 0.76 HSP90AA1 (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9
SCHEMBL3408147 0.76 HSP90AA1 (0.55) HIF1ACYP3A4HSD17B10ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-8338587-B2 Compounds ASTRAZENECA AB 2012-12-25 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — US disclosed
US-20100256103-A1 NOVEL COMPOUNDS ASTRAZENECA R&D (SE) 2010-10-07 — — 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-20100256103-A1 NOVEL COMPOUNDS SLC10A1, ABCB1, UGT1A1 HIF1A 1103/4885CYP3A4 87/4885HSD17B10 255/4885

“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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