SCHEMBL3304511

SCHEMBL3304511

CN(C)[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.52
HTR1A P08908 3/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
HTR2B P41595 3/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
MAOA P21397 2/20 0.52
ADRA1D P25100 2/20 0.52
HTR1B P28222 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
HTR7 P34969 2/20 0.52
ADRA1A P35348 2/20 0.52
HRH1 P35367 2/20 0.52
ADRA1B P35368 2/20 0.52
HTR5A P47898 2/20 0.52
HTR6 P50406 2/20 0.52
CCND1 P24385 2/20 0.52

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
SCHEMBL27558242 1.00 CDK4 (0.52) CDK4HTR1AHTR2AHTR2CHTR2B
Benzene SCHEMBL27493906 1.00 CDK4 (0.52) CDK4HTR1AHTR2AHTR2CHTR2B
SCHEMBL28155685 0.99 CDK4 (0.51) CDK4HTR1AHTR2AHTR2CHTR2B
SCHEMBL27509283 0.99 CDK4 (0.51) CDK4HTR1AHTR2AHTR2CHTR2B
SCHEMBL27509865 0.99 CDK4 (0.51) CDK4HTR1AHTR2AHTR2CHTR2B
SCHEMBL27492409 0.99 KDM4E (0.53) CDK4HTR1AHTR2AHTR2CHTR2B
Propane SCHEMBL27808107 0.97 KMT2A (0.51) CDK4HTR1AHTR2AHTR2CHTR2B
SCHEMBL27848402 0.96 CDK4 (0.49) CDK4HTR1AHTR2AHTR2CHTR2B
Hexane SCHEMBL27913412 0.93 SMN1; SMN2 (0.51) CDK4HTR1AHTR2AHTR2CHTR2B
SCHEMBL28397812 0.86 KDM4E (0.49) CDK4HTR1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081842-A2 ALTERNATIVE BIOSYNTHESIS PATHWAYS FOR THE PRODUCTION OF PSILOCYBIN AND INTERMEDIATES OR SIDE PRODUCTS MIAMI UNIVERSITY (US) 2023-05-11 WO claimed
WO-2022075354-A1 A METHOD FOR OBTAINING AN INDEX FOR THE DIAGNOSIS OF ALZHEIMER'S DISEASE (AD) OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2022-04-14 WO claimed
WO-2023081842-A2 ALTERNATIVE BIOSYNTHESIS PATHWAYS FOR THE PRODUCTION OF PSILOCYBIN AND INTERMEDIATES OR SIDE PRODUCTS MIAMI UNIVERSITY (US) 2023-05-11 WO disclosed
EP-4162032-A2 ENZYMES AND REGULATORY PROTEINS IN TRYPTAMINE METABOLISM CB Therapeutics, Inc. (US) 2023-04-12 EP disclosed
WO-2022075354-A1 A METHOD FOR OBTAINING AN INDEX FOR THE DIAGNOSIS OF ALZHEIMER'S DISEASE (AD) OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2022-04-14 WO disclosed
US-20210247403-A1 MARKERS OF IMMUNE WELLNESS AND METHODS OF USE THEREOF Cowper Sciences Inc. 2021-08-12 US disclosed
US-20190101525-A1 METHOD FOR DETERMINING THE EXTENT OF AGING OF A SUBJECT AND TREATING THE SUBJECT TO SUPPRESS THE EXTENT OF AGING OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2019-04-04 US disclosed
EP-3427065-A1 A METHOD, AN APPARATUS, A SYSTEM AND A KIT FOR DETERMINING THE EXTENT OF AGING Okinawa Institute of Science and Technology School Corporation (JP) 2019-01-16 EP disclosed
CN-108780099-A A kind of method, apparatus, system and kit for measuring degree of aging 学校法人冲绳科学技术大学院大学学园 2018-11-09 CN disclosed
WO-2017155100-A1 A METHOD, AN APPARATUS, A SYSTEM AND A KIT FOR DETERMINING THE EXTENT OF AGING OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2017-09-14 WO disclosed
US-8350065-B2 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same GRAND PHARMA (CHINA) CO., LTD. (CN) 2013-01-08 US disclosed
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME GRAND PHARMA (CHINA) CO., LTD. (CN) 2010-04-22 US 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 (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-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME HCAR2, HAO2, HK2 CDK4 3263/4885HTR1A 695/4885HTR2A 260/4885

“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.