SCHEMBL680502

SCHEMBL680502

CNCc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.59
TUBB4A P04350 2/20 0.56
TUBB P07437 2/20 0.56
TUBA3C P0DPH7 2/20 0.56
TUBA1B P68363 2/20 0.56
TUBA4A P68366 2/20 0.56
TUBB4B P68371 2/20 0.56
TUBB3 Q13509 2/20 0.56
TUBB2A Q13885 2/20 0.56
TUBB8 Q3ZCM7 2/20 0.56
TUBA3E Q6PEY2 2/20 0.56
TUBA1A Q71U36 2/20 0.56
TUBA1C Q9BQE3 2/20 0.56
TUBB6 Q9BUF5 2/20 0.56
TUBB2B Q9BVA1 2/20 0.56
TUBB1 Q9H4B7 2/20 0.56
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 2/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL9542251 0.84 GAA (0.71) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12993098 0.83 HTR7 (0.47) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8910416 0.81 PTGS2 (0.70) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8719710 0.81 PTGS2 (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4582090 0.81 PTGS2 (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9035771 0.81 PTGS2 (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL207179 0.81 GAA (0.62) PTGS2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL8410665 0.79 GAA (0.65) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8533124 0.79 GAA (0.60) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8026574 0.79 GAA (0.60) PTGS2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
EP-2598517-B1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
CN-104797332-B Multi-element anion exchange matrix 通用电气医疗集团生物工艺研发股份公司 2018-05-29 CN disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
EP-0767783-A1 SUBSTITUTED ALKYLDIAMINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1997-04-16 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
US-5597845-A TACHYKININ ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1997-01-28 US disclosed
WO-1996032385-A1 NOVEL SUBSTITUTED PIPERAZINE DERIVATIVES HAVING TACHYKININ RECEPTOR ANTAGONISTS ACTIVITY HOECHST MARION ROUSSEL, INC. (US) 1996-10-17 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
WO-1995035279-A1 SUBSTITUTED ALKYLDIAMINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-12-28 WO disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 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-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 PTGS2 565/4885TUBB4A 654/4885TUBB 1685/4885

“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.