SCHEMBL5090201

SCHEMBL5090201

C[C@]12CC[C@H]3[C@@H](CCC4C[C@H](O)CC[C@@]43C)[C@@H]1CC(O)[C@H]2O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.68
LMNA P02545 5/20 0.68
CYP3A4 P08684 4/20 0.68
SHBG P04278 3/20 0.68
SERPINA6 P08185 3/20 0.68
TSHR P16473 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
HSD17B10 Q99714 1/20 0.68
NR1I3 Q14994 1/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPK1 P28482 1/20 0.63
HSD17B3 P37058 1/20 0.63
PMP22 Q01453 1/20 0.63
AKR1B10 O60218 1/20 0.63
G6PD P11413 1/20 0.63
AKR1B1 P15121 1/20 0.63
CYP2D6 P10635 1/20 0.63

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
SCHEMBL4438224 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL1419114 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL1418725 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL6882171 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL6442060 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL4944130 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL510459 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL510947 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL6441377 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6
SCHEMBL1419020 1.00 GPBAR1 (0.68) GPBAR1LMNACYP3A4SHBGSERPINA6

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 GPBAR1 349/4885LMNA 4082/4885CYP3A4 283/4885

“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.