Benzene

Benzene

SCHEMBL3553377

CS(=O)(=O)Nc1ccccc1CCCc1cccc(C(=O)O)c1.c1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.61
NR3C1 P04150 5/20 0.47
AKR1C3 P42330 2/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL3560711 1.00 SLC16A3 (0.61) SLC16A3NR3C1AKR1C3KMT2ARAB9A
Benzene SCHEMBL3561698 0.93 SLC16A3 (0.68) SLC16A3NR3C1AKR1C3KMT2ARAB9A
SCHEMBL3552271 0.93 SLC16A3 (0.68) SLC16A3NR3C1AKR1C3KMT2ARAB9A
SCHEMBL3557357 0.89 SLC16A3 (0.60) SLC16A3NR3C1AKR1C3RAB9A
SCHEMBL3557394 0.89 SLC16A3 (0.64) SLC16A3NR3C1AKR1C3KMT2ARAB9A
SCHEMBL3560664 0.88 SLC16A3 (0.63) SLC16A3NR3C1AKR1C3KMT2ARAB9A
SCHEMBL3553686 0.87 SLC16A3 (0.58) SLC16A3NR3C1AKR1C3RAB9A
SCHEMBL3553371 0.87 SLC16A3 (0.60) SLC16A3AKR1C3RAB9A
SCHEMBL3557013 0.87 SLC16A3 (0.74) SLC16A3AKR1C3KMT2ARAB9A
SCHEMBL3561531 0.86 SLC16A3 (0.58) SLC16A3NR3C1KMT2APOLB

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 425/4885NR3C1 951/4885AKR1C3 23/4885

“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.