SCHEMBL4938581

SCHEMBL4938581

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.42
ACHE P22303 2/20 0.38
SERPINA6 P08185 1/20 0.38
EBP Q15125 1/20 0.38
DHCR7 Q9UBM7 1/20 0.38
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
G6PD P11413 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 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
SCHEMBL4938592 1.00 BCHE (0.42) BCHEACHESERPINA6EBPDHCR7
SCHEMBL4939251 0.82 ESR1 (0.40) SERPINA6KMT2ALMNACYP3A4
SCHEMBL4938544 0.82 ESR1 (0.40) SERPINA6KMT2ALMNACYP3A4
SCHEMBL4945380 0.82 ESR1 (0.40) SERPINA6KMT2ALMNACYP3A4
SCHEMBL4945781 0.82 ESR1 (0.40) SERPINA6KMT2ALMNACYP3A4
SCHEMBL4938549 0.82 ESR1 (0.40) SERPINA6KMT2ALMNACYP3A4
SCHEMBL5088077 0.81 HSD11B1 (0.39) BCHESERPINA6MEN1KMT2AMAPK1
SCHEMBL4942231 0.81 HSD11B1 (0.39) BCHESERPINA6MEN1KMT2AMAPK1
SCHEMBL4936668 0.81 HSD11B1 (0.39) BCHESERPINA6MEN1KMT2AMAPK1
SCHEMBL4943571 0.81 HSD11B1 (0.39) BCHESERPINA6MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130164780-A1 Drug Identification Method BIOVIE INC. 2013-06-27 US disclosed
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-8217025-B2 Utilizing such as 4-fluoro-17-ethynylandrost-5-ene-3-,7-,17-triol; pulmonary conditions, hyperglycemia, type 2 diabetes, insulin resistance Harbor Therapeutics, Inc. (US) 2012-07-10 US disclosed
US-20080221074-A1 Drug Screen and Treatment Method BIOVIE INC. 2008-09-11 US disclosed
US-20080153792-A1 Drug Identification and Treatment Method BIOVIE INC. 2008-06-26 US disclosed
US-20080153797-A1 Drug Identification and Treatment Method BIOVIE INC. 2008-06-26 US disclosed
US-20080146532-A1 Utilizing such as 4-fluoro-17-ethynylandrost-5-ene-3-,7-,17-triol; pulmonary conditions, hyperglycemia, type 2 diabetes, insulin resistance BIOVIE INC. 2008-06-19 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 (4 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-20080153792-A1 Drug Identification and Treatment Method PTGER4, PTGER1, IL17A BCHE 2801/4885ACHE 1003/4885SERPINA6 763/4885
US-20080146532-A1 Utilizing such as 4-fluoro-17-ethynylandrost-5-ene-3-,7-,17-triol; pulmonary conditions, hyperglycemia, type 2 diabetes, insulin resistance HSD17B1, HSD17B11, HSD3B2 BCHE 2638/4885ACHE 3452/4885SERPINA6 472/4885
US-20080221074-A1 Drug Screen and Treatment Method HSD3B2, HSD17B2, HSD3B1 BCHE 1218/4885ACHE 1741/4885SERPINA6 513/4885
US-20080153797-A1 Drug Identification and Treatment Method PTGER4, PTGER1, IL17A BCHE 2830/4885ACHE 1013/4885SERPINA6 761/4885

“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.