SCHEMBL3127096

SCHEMBL3127096

COc1cc(CCBr)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
HTR2B P41595 2/20 0.64
PTGS2 P35354 1/20 0.59
TUBB4A P04350 3/20 0.58
TUBB P07437 3/20 0.58
TUBA3C P0DPH7 3/20 0.58
TUBA1B P68363 3/20 0.58
TUBA4A P68366 3/20 0.58
TUBB4B P68371 3/20 0.58
TUBB3 Q13509 3/20 0.58
TUBB2A Q13885 3/20 0.58
TUBB8 Q3ZCM7 3/20 0.58
TUBA3E Q6PEY2 3/20 0.58
TUBA1A Q71U36 3/20 0.58
TUBA1C Q9BQE3 3/20 0.58
TUBB6 Q9BUF5 3/20 0.58
TUBB2B Q9BVA1 3/20 0.58
TUBB1 Q9H4B7 3/20 0.58
AOC3 Q16853 2/20 0.56

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
SCHEMBL6780613 0.88 HTR2A (0.60) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL4464142 0.86 HTR2A (0.75) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL23534141 0.84 TUBB4A (0.57) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL722969 0.84 PTGS2 (0.67) HTR2AHTR2CHTR2BPTGS2TUBB4A
Phosphine SCHEMBL9707943 0.82 PTGS2 (0.64) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL7424861 0.82 HTR2A (0.69) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL2500546 0.80 PTGS2 (0.68) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL29209155 0.79 HTR2A (0.60) HTR2AHTR2CHTR2BPTGS2TUBB4A
SCHEMBL11227924 0.78 HTR2A (0.64) HTR2AHTR2CHTR2BPTGS2TUBB4A
Mescaline SCHEMBL25170531 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BPTGS2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143606-A Combretastatin microtubule targeting agent and preparation method and application thereof 淮阴工学院 2024-12-17 CN disclosed
CN-103442566-B The compound of Therapeutic cancer GTX, INC. (US) 2015-12-09 CN disclosed
CN-104592205-A COMPOUNDS FOR TREATMENT OF CANCER GTX INC 2015-05-06 CN disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
CN-102666485-A Alkene oxindole derivatives and their uses to treat obesity, diabetes and hyperlipidemia HOFFMANN LA ROCHE 2012-09-12 CN disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE SENSOPATH TECHNOLOGIES, INC. 2009-02-12 US disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
WO-2004065389-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE XENOVA LIMITED (GB) 2004-08-05 WO disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 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 (4 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HTR2A 4744/4885HTR2C 4626/4885HTR2B 4568/4885
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE ALDH1B1, ALDH2, ALDH3A1 HTR2A 1476/4885HTR2C 1801/4885HTR2B 874/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 HTR2A 2513/4885HTR2C 1911/4885HTR2B 1943/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HTR2A 4744/4885HTR2C 4626/4885HTR2B 4568/4885

“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.