SCHEMBL133513

SCHEMBL133513

C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(O)CC[C@@H]3[C@H]1CC2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.60
GRIN2B Q13224 4/20 0.60
NR1I3 Q14994 1/20 0.54
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
AKR1B10 O60218 1/20 0.40
SHBG P04278 1/20 0.35

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
SCHEMBL22018389 1.00 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL13007746 1.00 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL6812629 1.00 GRIN1 (0.60) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL30645499 0.83 GRIN1 (0.58) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL4834976 0.81 GRIN1 (0.56) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL3853829 0.81 GRIN1 (0.41) GRIN1GRIN2BNR1I3SHBG
SCHEMBL4833938 0.81 GRIN1 (0.56) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL26304098 0.81 GRIN1 (0.41) GRIN1GRIN2BNR1I3SHBG
SCHEMBL7353210 0.80 GRIN1 (0.55) GRIN1GRIN2BNR1I3CDK5CDK5R1
SCHEMBL374356 0.80 GRIN1 (0.55) GRIN1GRIN2BNR1I3CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120129683-A Azole derivatives as SHP2 inhibitors IRBM股份公司 2025-06-10 CN claimed
CN-119086743-B Method for simultaneously detecting 16 endocrine disruptors in environmental water body 江苏省徐州环境监测中心 2025-05-23 CN claimed
CN-119907692-A Isolated targeted delivery system for the treatment of gliomas 塞尔丽思股份公司 2025-04-29 CN claimed
CN-119894893-A Sulfone substituted pyrido [3,4-D ] pyrimidine derivatives for the treatment of cancer 拜耳公司 2025-04-25 CN claimed
CN-119757729-A Test paper for detecting diethylstilbestrol and preparation method thereof 无锡市食品安全检验检测中心 2025-04-04 CN claimed
CN-119414033-A Method for establishing hexane estrenol ic-ELISA and application thereof 周口师范学院 2025-02-11 CN claimed
CN-119173283-A Radiopharmaceutical complexes targeting prostate specific membrane antigen and combinations thereof 拜耳股份有限公司 2024-12-20 CN claimed
CN-119086743-A Method for simultaneously detecting 16 endocrine disruptors in environmental water body 江苏省徐州环境监测中心 2024-12-06 CN claimed
CN-118961985-A Kit and method for simultaneously detecting 18 steroid hormones based on double-derivative technology 上海万子健医学检验实验室有限公司 2024-11-15 CN claimed
CN-118680938-A Allyl estrol pharmaceutical composition and preparation method thereof 常州市第四制药厂有限公司 2024-09-24 CN claimed
US-20190167604-A1 ARYLFLUOROSULFATE COMPOUNDS AND METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-06 US claimed
EP-3426257-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, Inc. (US) 2019-01-16 EP claimed
EP-3310394-A1 NEUROACTIVE STEROID SOLUTIONS AND THEIR METHODS OF USE Sage Therapeutics, Inc. (US) 2018-04-25 EP claimed
US-20170348327-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2017-12-07 US claimed
WO-2017156103-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2017-09-14 WO claimed
EP-3191101-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, Inc. (US) 2017-07-19 EP claimed
WO-2016205721-A1 NEUROACTIVE STEROID SOLUTIONS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2016-12-22 WO claimed
WO-2016040322-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
EP-2175277-B1 ADAM12 as marker for 2nd trimester Down Syndrome UNIV KOEBENHAVN (DK) 2013-09-04 EP claimed
EP-1901074-B1 Adam12 as marker for fetal Turner Syndrome UNIV KOEBENHAVN (DK) 2011-07-27 EP 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 (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-20190167604-A1 ARYLFLUOROSULFATE COMPOUNDS AND METHODS BRD4, ESR1, NCOA4 GRIN1 4623/4885GRIN2B 4650/4885NR1I3 800/4885

“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.