SCHEMBL2721082

SCHEMBL2721082

COCCOCc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 1/20 0.33
CA2 P00918 1/20 0.32
ICAM1 P05362 4/20 0.32
SELE P16581 4/20 0.32
NR4A2 P43354 1/20 0.32
APP P05067 2/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL7294544 0.83 TSHR (0.34) PTPN2PTPN1PTPN6TSHRTDP1
SCHEMBL7303272 0.82 KCNH2 (0.33) TSHRCA2
SCHEMBL7296533 0.82 NAAA (0.35) PTPN2PTPN1PTPN6TSHRL3MBTL1
SCHEMBL6776319 0.81 TSHR (0.36) TSHR
SCHEMBL5958235 0.81 TSHR (0.36) TSHRTDP1L3MBTL1NAAA
SCHEMBL229812 0.80
SCHEMBL7299873 0.79 TSHR (0.40) TSHRTDP1L3MBTL1
SCHEMBL7297928 0.79 ADRB2 (0.34) TSHRNAAA
SCHEMBL7336623 0.79 ADRB2 (0.46) TSHRNAAANR4A2
SCHEMBL7297414 0.79 MEN1 (0.36) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US claimed
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 CN disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed
EP-2635575-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF Philip Morris Products S.a.s. (CH) 2013-09-11 EP disclosed
WO-2012059232-A1 CARBAZOLE AND CARBOLINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATIONS THEREOF PHILIP MORRIS PRODUCTS S.A (CH) 2012-05-10 WO disclosed
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 US disclosed
EP-0400519-A1 2-Hydroxy-n-propylamines, medicaments containing these compounds and method for preparing them Dr. Karl Thomae GmbH (DE) 1990-12-05 EP 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 PTPN2 2775/4885PTPN1 2531/4885PTPN6 2847/4885

“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.