Benzene

Benzene

SCHEMBL3558670

CS(=O)(=O)Nc1ccccc1CCCCCc1ccccc1C(=O)O.c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 10/20 0.61
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.48
RCE1 Q9Y256 1/20 0.48
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL3558222 1.00 SLC16A3 (0.61) SLC16A3KMT2AALDH1A1KDM4ERCE1
SCHEMBL3559564 0.93 KMT2A (0.55) SLC16A3KMT2AALDH1A1KDM4ERCE1
Benzene SCHEMBL3555900 0.93 KMT2A (0.55) SLC16A3KMT2AALDH1A1KDM4ERCE1
SCHEMBL3554418 0.89 MCL1 (0.52) SLC16A3KMT2AALDH1A1KDM4ERCE1
SCHEMBL3551830 0.88 SLC16A3 (0.60) SLC16A3FOLH1
SCHEMBL3563991 0.85 MCL1 (0.49) SLC16A3KMT2AALDH1A1KDM4ERCE1
SCHEMBL3552944 0.85 SLC16A3 (0.56) SLC16A3KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3562322 0.85 SLC16A3 (0.56) SLC16A3KMT2AALDH1A1KDM4E
SCHEMBL3554524 0.83 SLC16A3 (0.58) SLC16A3KMT2AALDH1A1KDM4EHPGD
SCHEMBL3558665 0.83 SLC16A3 (0.54) SLC16A3ALDH1A1KDM4EHPGDHSD17B10

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 (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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885KMT2A 4045/4885ALDH1A1 61/4885

“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.