SCHEMBL4440828

SCHEMBL4440828

C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](F)C[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.61
CYP1B1 Q16678 1/20 0.51
G6PD P11413 2/20 0.49
HSD17B3 P37058 2/20 0.44
GPBAR1 Q8TDU6 5/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 3/20 0.42
AKR1B10 O60218 3/20 0.42
AKR1B1 P15121 3/20 0.42
SHBG P04278 2/20 0.42
SERPINA6 P08185 2/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
EFNA1 P20827 1/20 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
SCHEMBL8528644 1.00 CYP19A1 (0.61) CYP19A1CYP1B1G6PDHSD17B3GPBAR1
SCHEMBL503217 1.00 CYP19A1 (0.61) CYP19A1CYP1B1G6PDHSD17B3GPBAR1
SCHEMBL5312818 1.00 CYP19A1 (0.61) CYP19A1CYP1B1G6PDHSD17B3GPBAR1
SCHEMBL503216 1.00 CYP19A1 (0.61) CYP19A1CYP1B1G6PDHSD17B3GPBAR1
SCHEMBL502993 0.86 CYP19A1 (0.61) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502992 0.86 CYP19A1 (0.61) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502481 0.85 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502482 0.85 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502634 0.85 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL15094423 0.85 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486924-B1 Drugs and uses NEURMEDIX INC (US) 2018-12-26 EP disclosed
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
EP-2486924-A2 Drugs and uses Harbor BioSciences, Inc. (US) 2012-08-15 EP 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
EP-2012773-B1 DRUGS AND USES HARBOR BIOSCIENCES INC (US) 2012-06-20 EP disclosed
EP-2012773-A2 DRUGS AND USES Hollis-Eden Pharmaceuticals Inc. (US) 2009-01-14 EP 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
WO-2008039566-A2 DRUGS AND USES HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2008-04-03 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 (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 CYP19A1 271/4885CYP1B1 521/4885G6PD 1976/4885
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 CYP19A1 105/4885CYP1B1 306/4885G6PD 250/4885
US-20080221074-A1 Drug Screen and Treatment Method HSD3B2, HSD17B2, HSD3B1 CYP19A1 42/4885CYP1B1 196/4885G6PD 163/4885
US-20080153797-A1 Drug Identification and Treatment Method PTGER4, PTGER1, IL17A CYP19A1 245/4885CYP1B1 485/4885G6PD 1966/4885

“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.