SCHEMBL163523

SCHEMBL163523

c1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.71
HSD17B1 P14061 1/20 0.68
HSD17B2 P37059 1/20 0.68
ESR1 P03372 3/20 0.63
ESR2 Q92731 3/20 0.63
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
ERN1 O75460 3/20 0.51
BCL2L1 Q07817 1/20 0.48
NQO1 P15559 1/20 0.47
NQO2 P16083 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP2A6 P11509 3/20 0.45
ASIC3 Q9UHC3 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
MGLL Q99685 1/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL29766071 1.00 APP (0.71) APPHSD17B1HSD17B2ESR1ESR2
Bromide SCHEMBL31564934 0.98 APP (0.69) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL5768436 0.96 APP (0.72) APPHSD17B1HSD17B2ESR1ESR2
Formaldehyde SCHEMBL27872210 0.94 APP (0.65) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL27631114 0.93 HSD17B1 (0.77) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL32677328 0.93 APP (0.81) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL27159530 0.93 APP (0.81) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL30340807 0.92 HSD17B1 (0.75) APPHSD17B1HSD17B2ESR1ESR2
Trimethylammonium SCHEMBL11529523 0.92 APP (0.62) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL21476763 0.89 APP (0.69) APPHSD17B1HSD17B2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143678-A Fluorescent molecule for rapidly measuring excitation light spot size and light intensity distribution and preparation method thereof 中国科学院化学研究所 2024-12-17 CN claimed
US-11932657-B2 Heterocyclic compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-19 US claimed
CN-117202752-A Imaging element, stacked imaging element, imaging device, and electronic device 索尼公司 2023-12-08 CN claimed
CN-117202754-A Imaging element, stacked imaging element, imaging device, and electronic device 索尼公司 2023-12-08 CN claimed
CN-117202753-A Imaging element, stacked imaging element, imaging device, and electronic device 索尼公司 2023-12-08 CN claimed
CN-109952652-B Imaging element, stacked imaging element, imaging device, and electronic device 索尼公司 2023-09-19 CN claimed
CN-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 CN claimed
CN-111253366-B Phenyl benzothiophene rod-shaped liquid crystal compound and preparation method thereof 四川师范大学 2022-06-17 CN claimed
CN-114447243-A Organic electroluminescent device comprising light-emitting layer and hole transport region 吉林奥来德光电材料股份有限公司 2022-05-06 CN claimed
CN-113678273-A Photoelectric conversion element and imaging device 索尼集团公司 2021-11-19 CN claimed
CN-104974227-B The amphiphilic film targeting alpha-helix polypeptide of cation and its application 中国科学院苏州纳米技术与纳米仿生研究所 2019-04-23 CN claimed
CN-107129519-A Polypeptide fluorescence cyclization method and cyclized polypeptide based on metal iridium complex 中国科学院苏州纳米技术与纳米仿生研究所 2017-09-05 CN claimed
CN-101750486-A Method for labeling antibody by fluorophore generated by combination of iridium coordination compound and histidine SUNA TECH INC 2010-06-23 CN claimed
US-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs TRIN GMBH (CH) 2007-05-03 US claimed
EP-1636249-A1 TARGET-ORIENTED CHEMOTHERAPY FOR TREATING TUMORS OF THE SEXUAL ORGANS TRIN GmbH (CH) 2006-03-22 EP claimed
WO-2004106358-A1 TARGET-ORIENTED CHEMOTHERAPY FOR TREATING TUMORS OF THE SEXUAL ORGANS TRIN GMBH (CH) 2004-12-09 WO claimed
US-6395769-B1 ACTIVATION ESTROGEN; THERAPY FOR OSTEOPOROSIS, ANTILIPEMIC AGENTS ELI LILLY AND COMPANY 2002-05-28 US claimed
US-6096781-A 2-PHENYL-1-BENZOTHIOPHENE DERIVATIVES ARE USEFUL FOR TREATMENT OF OSTEOPOROSIS AND HYPERLIPEMIA ELI LILLY AND COMPANY (US) 2000-08-01 US claimed
EP-0920862-A1 2-Arylbenzo b thiophenes useful for the treatment of estrogen deprivation syndrome ELI LILLY AND COMPANY (US) 1999-06-09 EP claimed
US-4092161-A Inorganic photoconductors with phenyl substituted image transport materials XEROX CORPORATION (US) 1978-05-30 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 (2 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-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs GPER1, SHBG, GNRHR APP 4881/4885HSD17B1 81/4885HSD17B2 55/4885
US-11932657-B2 Heterocyclic compound AHR, PDGFRA, PDGFRB APP 2636/4885HSD17B1 545/4885HSD17B2 539/4885

“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.