SCHEMBL10079789

SCHEMBL10079789

CCC1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.69
▸ SERPINA6 P08185 5/20 0.69
▸ NR3C1 P04150 4/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ TSHR P16473 3/20 0.69
▸ LMNA P02545 3/20 0.69
▸ SHBG P04278 3/20 0.69
▸ CYP3A4 P08684 3/20 0.69
▸ PMP22 Q01453 2/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ KCNA1 Q09470 1/20 0.69
▸ SLC47A1 Q96FL8 1/20 0.69
▸ FNTA P49354 5/20 0.56
▸ FNTB P49356 5/20 0.56
▸ BLM P54132 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ AR P10275 1/20 0.56
▸ POLB P06746 1/20 0.53

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
SCHEMBL11845368 0.89 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
SCHEMBL11845386 0.89 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
SCHEMBL11796127 0.89 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
SCHEMBL11852315 0.89 HSD17B10 (0.71) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL11058433 0.82 HSD17B10 (0.96) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL13332835 0.82 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL6535496 0.82 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL13026135 0.82 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL9926754 0.82 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR
Cortisone SCHEMBL10089738 0.82 HSD17B10 (1.00) HSD17B10SERPINA6NR3C1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 — — US disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 — — US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 — — US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 — — US disclosed
WO-2012051988-A2 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2012-04-26 — — 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 (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-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 HSD17B10 213/4885SERPINA6 46/4885NR3C1 44/4885

“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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