SCHEMBL21098684

SCHEMBL21098684

O=C1CCc2cc(O)cc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.41
HSD17B1 P14061 2/20 0.40
ESR2 Q92731 3/20 0.35
ESR1 P03372 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PRKCI P41743 1/20 0.35
PTGS2 P35354 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL29798732 1.00 PBRM1 (0.41) PBRM1HSD17B1ESR2ESR1MAOA
SCHEMBL29709012 0.89 MAOA (0.49) PBRM1HSD17B1ESR2ESR1MAOA
SCHEMBL21098729 0.89 MAOA (0.49) PBRM1HSD17B1ESR2ESR1MAOA
SCHEMBL16290456 0.82 HSD17B1 (0.34) PBRM1HSD17B1PTGS2
SCHEMBL321647 0.79 DRD2 (0.36) PBRM1HSD17B1PTGS2
SCHEMBL4179706 0.79 PBRM1 (0.44) PBRM1HSD17B1ESR2MAOAMAOB
SCHEMBL18353118 0.78 PBRM1 (0.42) PBRM1HSD17B1MAOAMAOBPRKCI
SCHEMBL31021009 0.78 PBRM1 (0.42) PBRM1HSD17B1MAOAMAOBPRKCI
SCHEMBL23599373 0.76 CYP3A4 (0.41) PBRM1HSD17B1ESR2ESR1MAOA
SCHEMBL23599549 0.76 PBRM1 (0.41) PBRM1HSD17B1ESR2ESR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376048-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases CELGENE CORPORATION (US) 2024-11-14 US disclosed
EP-4444697-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-10-16 EP disclosed
CN-118632834-A Indanyl compounds containing carboxylic acids for the treatment of neurodegenerative diseases 细胞基因公司 2024-09-10 CN disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
WO-2023107563-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2023-06-15 WO disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2022-07-26 US disclosed
CN-109988109-B Amine compound for inhibiting SSAO/VAP-1 and application thereof 广东东阳光药业有限公司 2020-12-29 CN disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 US disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US disclosed
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-12-03 US disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 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 (5 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-20240376048-A1 Carboxylic Acid Containing Indanyl Compounds for the Treatment of Neurodegenerative Diseases S1PR5, S1PR2, LPAR5 PBRM1 4550/4885HSD17B1 1575/4885ESR2 1282/4885
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 PBRM1 2392/4885HSD17B1 1004/4885ESR2 4361/4885
US-11396495-B2 Amine compound for inhibiting SSAO/VAP-1 and use thereof VCAM1, VAPB, ICAM1 PBRM1 4148/4885HSD17B1 1847/4885ESR2 2959/4885
US-20200377461-A1 AMINE COMPOUND FOR INHIBITING SSAO / VAP-1 AND USE THEREOF VCAM1, VAPB, ICAM1 PBRM1 4148/4885HSD17B1 1847/4885ESR2 2959/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 PBRM1 2443/4885HSD17B1 750/4885ESR2 4061/4885

“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.