SCHEMBL7006014

SCHEMBL7006014

COc1ccc(CCc2ccc(F)cc2C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.46
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7006358 0.87 HTR2A (0.43) ABCB1HTR2AHTR2CALDH1A1ABCG2
SCHEMBL2288984 0.77 TUBB4A (0.47) ABCB1TUBB4ATUBBTUBA3CTUBA1B
Bromide SCHEMBL2294783 0.77 ABCB1 (0.45) ABCB1HTR2AHTR2CTUBB4ATUBB
SCHEMBL7819280 0.74 LTA4H (0.57) LTA4H
SCHEMBL12384357 0.73 SYK (0.46) ABCB1HTR2AALDH1A1CYP1A2MEN1
Hydrochloric Acid SCHEMBL4598689 0.73 LTA4H (0.55) LTA4H
SCHEMBL28031835 0.72 LTA4H (0.53) ABCB1L3MBTL1ALDH1A1LTA4HTDP1
SCHEMBL13052431 0.71 HSD17B10 (0.51) HTR2AMEN1KMT2A
SCHEMBL17943004 0.71 MAOB (0.46) L3MBTL1ALDH1A1CYP1A2LTA4HMEN1
SCHEMBL7474018 0.71 KDM4E (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-8183271-B2 Tetrazole derivatives and their use for the treatment of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-27 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 (2 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 ABCB1 713/4885HTR2A 2615/4885HTR2C 1831/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 ABCB1 430/4885HTR2A 4432/4885HTR2C 4151/4885

“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.