SCHEMBL4892804

SCHEMBL4892804

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.70
LMNA P02545 3/20 0.70
CYP3A4 P08684 3/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
SHBG P04278 2/20 0.70
SERPINA6 P08185 2/20 0.70
G6PD P11413 2/20 0.70
MAPK1 P28482 1/20 0.70
HSD17B3 P37058 1/20 0.70
PMP22 Q01453 1/20 0.70
AKR1B10 O60218 1/20 0.70
AKR1B1 P15121 1/20 0.70
CYP2D6 P10635 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
GABRA1 P14867 5/20 0.51

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
SCHEMBL3362889 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL11004575 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL1799883 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL15463390 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL20058395 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL4890316 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL6938662 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL1800894 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL14525640 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A
SCHEMBL4893508 1.00 GPBAR1 (0.70) GPBAR1LMNACYP3A4MEN1KMT2A

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085402-A1 BIOMARKERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-03-16 US claimed
US-20130234071-A1 COMPOSITION OF HUMAN SYNTHETIC URINE DENEAU JOEL DAVID (US) 2013-09-12 US claimed
EP-4292102-A1 BIOMARKERS FOR DIAGNOSIS AND TREATMENT OF ENDOCRINE HYPERTENSION, AND METHODS OF IDENTIFICATION THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-12-20 EP disclosed
US-20230085402-A1 BIOMARKERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-03-16 US disclosed
WO-2022171680-A1 BIOMARKERS FOR DIAGNOSIS AND TREATMENT OF ENDOCRINE HYPERTENSION, AND METHODS OF IDENTIFICATION THEREOF INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2022-08-18 WO disclosed
US-11046728-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
US-10981946-B2 Methods for the purification of deoxycholic acid ALLERGAN SALES, LLC (US) 2021-04-20 US disclosed
EP-3021852-B1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20200095274-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID ALLERGAN SALES, LLC (US) 2020-03-26 US disclosed
US-10495653-B2 Stabilization of labile analytes in reference materials BIO-RAD LABORATORIES, INC. (US) 2019-12-03 US disclosed
US-10472384-B2 Methods for the purification of deoxycholic acid ALLERGAN SALES, LLC (US) 2019-11-12 US disclosed
WO-2015010054-A2 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-01-22 WO disclosed
US-20140329263-A1 Stabilization of Labile Analytes in Reference Materials BIO-RAD LABORATORIES, INC. (US) 2014-11-06 US disclosed
US-20130137884-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID Kythera Biopharmaceuticals ,Inc. 2013-05-30 US disclosed
US-20130137884-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID Kythera Biopharmaceuticals ,Inc. 2013-05-30 US disclosed
WO-2011075701-A2 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID KYTHERA BIOPHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20080033046-A1 Treatment of myocardial infarction with 11HSD1 inhibitors UNIVERSITY OF EDINBURGH (GB) 2008-02-07 US disclosed
US-20060019400-A1 Method for the determination of glucuronides in physiological samples UNIVERSITY OF MARYLAND (US) 2006-01-26 US disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 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 (6 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-20080033046-A1 Treatment of myocardial infarction with 11HSD1 inhibitors HSD11B1, HSD11B2, CYP11B1 GPBAR1 533/4885LMNA 4376/4885CYP3A4 145/4885
US-20130137884-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 GPBAR1 98/4885LMNA 2134/4885CYP3A4 336/4885
US-20200095274-A1 METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID HSD11B1, HSD17B7, HSD17B13 GPBAR1 110/4885LMNA 2195/4885CYP3A4 280/4885
US-10472384-B2 Methods for the purification of deoxycholic acid HSD11B1, HSD17B7, HSD17B13 GPBAR1 110/4885LMNA 2195/4885CYP3A4 280/4885
US-10981946-B2 Methods for the purification of deoxycholic acid HSD11B1, HSD17B7, HSD17B13 GPBAR1 110/4885LMNA 2195/4885CYP3A4 280/4885
US-11046728-B2 Neuroactive steroids, compositions, and uses thereof ADRA1B, AVPR1B, ADRA2B GPBAR1 177/4885LMNA 3004/4885CYP3A4 416/4885

“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.