SCHEMBL1249405

SCHEMBL1249405

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC(=O)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 1.00
ADORA3 P0DMS8 2/20 0.74
SLC6A2 P23975 2/20 0.74
AGTR1 P30556 2/20 0.74
MAPT P10636 2/20 0.71
CYP24A1 Q07973 2/20 0.71
NR1I2 O75469 1/20 0.71
ABCB11 O95342 1/20 0.71
GC P02774 1/20 0.71
PGR P06401 1/20 0.71
RXRA P19793 1/20 0.71
CHRM3 P20309 1/20 0.71
CNR1 P21554 1/20 0.71
HTR2C P28335 1/20 0.71
MAPK1 P28482 1/20 0.71
SLC6A4 P31645 1/20 0.71
ADRA1A P35348 1/20 0.71
PTGS2 P35354 1/20 0.71
OPRD1 P41143 1/20 0.71
OPRK1 P41145 1/20 0.71

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
SCHEMBL11442771 1.00 VDR (1.00) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL3679281 0.91 VDR (0.83) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL10704733 0.90 VDR (0.82) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL11310229 0.90 VDR (0.82) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL11317480 0.88 VDR (0.78) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL19988221 0.88 VDR (0.78) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL11208271 0.88 VDR (0.78) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL11208266 0.88 VDR (0.78) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL11206665 0.88 VDR (0.78) VDRADORA3SLC6A2AGTR1MAPT
SCHEMBL11206661 0.88 VDR (0.78) VDRADORA3SLC6A2AGTR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025101030-A1 NANOSTRUCTURE COMPRISING CYCLODEXTRIN-DERIVED POLYMER MATERIAL AND GUEST MATERIAL, AND USE THEREOF 한국과학기술연구원 2025-05-15 WO claimed
EP-4065592-B1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM CENTER FOR INTELLIGENT RES IN CRYSTAL ENGINEERING S L (ES) 2024-01-10 EP claimed
US-11555007-B2 Compositions and methods for the treatment of neurological diseases CELLIX BIO PRIVATE LIMITED (IN) 2023-01-17 US claimed
US-20230001012-A1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM CENTER FOR INTELLIGENT RESEARCH IN CRYSTAL ENGINEERING, S.L. (ES) 2023-01-05 US claimed
CN-115420812-A Method for detecting calcitronic acid in urine and application thereof 复旦大学附属华山医院 2022-12-02 CN claimed
EP-4065592-A1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM Center for Intelligent Research in Crystal Engineering, S.L. (ES) 2022-10-05 EP claimed
US-20220105052-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN CELLIX BIO PRIVATE LIMITED (IN) 2022-04-07 US claimed
US-20220033360-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF SKIN DISEASES AND EYE DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2022-02-03 US claimed
US-20210244687-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN CELLIX BIO PRIVATE LIMITED (IN) 2021-08-12 US claimed
EP-3860592-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF SKIN DISEASES AND EYE DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2021-08-11 EP claimed
US-20190350877-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN CELLIX BIO PRIVATE LIMITED (IN) 2019-11-21 US claimed
EP-3558279-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN CELLIX BIO PRIVATE LIMITED (IN) 2019-10-30 EP claimed
WO-2019186357-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2019-10-03 WO claimed
US-20190275010-A1 COMBINATION THERAPY COMPRISING A THIAZOLE AND A SECOSTEROID TO TREAT SKIN CONDITIONS AVEXXIN AS (NO) 2019-09-12 US claimed
EP-3534956-A1 COMBINATION THERAPY COMPRISING A THIAZOLE AND A SECOSTEROID TO TREAT SKIN CONDITIONS Avexxin AS (NO) 2019-09-11 EP claimed
US-20190209585-A1 COMBINATION THERAPY COMPRISING A POLYUNSATURATED KETONE AND A SECOSTEROID AVEXXIN AS (NO) 2019-07-11 US claimed
EP-3463471-A1 COMBINATION THERAPY COMPRISING A POLYUNSATURATED KETONE AND A SECOSTEROID Avexxin AS (NO) 2019-04-10 EP claimed
WO-2018122626-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN CELLIX BIO PRIVATE LIMITED (IN) 2018-07-05 WO claimed
WO-2017207818-A1 COMBINATION THERAPY COMPRISING A POLYUNSATURATED KETONE AND A SECOSTEROID AVEXXIN AS (NO) 2017-12-07 WO claimed
US-4585741-A RADIOIMMUNOASSAY, CALCITROIC ACID AS IMMUNOGEN CLEVINGER BRIAN L (US) 1986-04-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20210244687-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN F5, OPRK1, F12 VDR 703/4885ADORA3 1172/4885SLC6A2 719/4885
US-20190350877-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN OPRK1, F5, F12 VDR 751/4885ADORA3 1080/4885SLC6A2 740/4885
US-20190275010-A1 COMBINATION THERAPY COMPRISING A THIAZOLE AND A SECOSTEROID TO TREAT SKIN CONDITIONS NR3C2, CYP24A1, HSD11B2 VDR 32/4885ADORA3 3559/4885SLC6A2 998/4885
US-20220033360-A1 OPHTHALMIC COMPOSITIONS AND METHODS FOR THE TREATMENT OF SKIN DISEASES AND EYE DISEASES SCNN1G, SI, PTGER4 VDR 746/4885ADORA3 1505/4885SLC6A2 236/4885
US-11555007-B2 Compositions and methods for the treatment of neurological diseases SCNN1G, PMP22, TTR VDR 2273/4885ADORA3 2027/4885SLC6A2 43/4885
US-20230001012-A1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM HSD3B1, HSD3B2, NR3C2 VDR 234/4885ADORA3 3162/4885SLC6A2 1144/4885
US-20190209585-A1 COMBINATION THERAPY COMPRISING A POLYUNSATURATED KETONE AND A SECOSTEROID HSD3B1, HSD3B2, HSD17B13 VDR 67/4885ADORA3 1815/4885SLC6A2 2498/4885
US-20220105052-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CHRONIC PAIN OPRK1, F5, F12 VDR 776/4885ADORA3 1019/4885SLC6A2 836/4885

“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.