SCHEMBL5088077

SCHEMBL5088077

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
SERPINA6 P08185 1/20 0.38
BCHE P06276 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
G6PD P11413 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL4936668 1.00 HSD11B1 (0.39) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4943571 1.00 HSD11B1 (0.39) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4943331 1.00 HSD11B1 (0.39) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4942231 1.00 HSD11B1 (0.39) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4936661 1.00 HSD11B1 (0.39) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4943111 0.90 HSD11B1 (0.40) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4943118 0.90 HSD11B1 (0.40) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL5091204 0.90 HSD11B1 (0.40) HSD11B1SERPINA6BCHEMEN1KMT2A
SCHEMBL4945380 0.82 ESR1 (0.40) SERPINA6KMT2ACYP3A4LMNACYP1A2
SCHEMBL4938549 0.82 ESR1 (0.40) SERPINA6KMT2ACYP3A4LMNACYP1A2

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-8354396-B2 Identifying compounds that can treat autoimmune conditions; ulcerative colitis, inflammatory bowel disease, Crohn's disease, psoriasis, actinic keratosis, arthritis, multiple sclerosis, optic neuritis Harbor Therapeutics, Inc. (US) 2013-01-15 US disclosed
US-20080153797-A1 Drug Identification and Treatment Method BIOVIE INC. 2008-06-26 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-20080153797-A1 Drug Identification and Treatment Method PTGER4, PTGER1, IL17A HSD11B1 15/4885SERPINA6 761/4885BCHE 2830/4885

“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.