SCHEMBL7008741

SCHEMBL7008741

OCc1cc(F)ccc1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TSHR P16473 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G1B P04054 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
SCHEMBL15777887 0.81 PTGS1 (0.46) HTR2AHTR2CLMNAPLA2G1BATG4B
SCHEMBL8429903 0.80 ALOX15 (0.46) HTR2AHTR2CKDM4EHPGDHSD17B10
SCHEMBL10636331 0.80 BCL2 (0.52) HPGDHSD17B10TSHRMEN1KMT2A
SCHEMBL16191048 0.79 HTR2A (0.51) HTR2AHTR2CALDH1A1LMNAPOLB
SCHEMBL2288984 0.79 TUBB4A (0.47) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL14289877 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL698588 0.78 TDP1 (0.54) HTR2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3309883 0.78 IDO1 (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31085527 0.78 IDO1 (0.40) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7006358 0.77 HTR2A (0.43) HTR2AHTR2CALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 2615/4885HTR2C 1831/4885ALDH1A1 708/4885
US-20090215843-A1 Tetrazole Derivatives and Their Use for the Treatment of Cardiovascular Diseases TNNI3, TNNT2, FABP3 HTR2A 4432/4885HTR2C 4151/4885ALDH1A1 835/4885

“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.