Benzene

Benzene

SCHEMBL3366795

OP(Cl)Cl.c1ccccc1

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL24665 0.82
Pyridine SCHEMBL9214710 0.78 TSHR (0.60) TSHR
Benzene SCHEMBL28732344 0.76 TP53 (0.43) TP53TSHR
Benzene SCHEMBL5665687 0.76 TP53 (0.43) TP53TSHR
Benzene SCHEMBL29418269 0.76 TP53 (0.43) TP53TSHR
Benzene SCHEMBL11904791 0.76 TP53 (0.43) TP53TSHR
Benzene SCHEMBL18274779 0.76 TP53 (0.43) TP53TSHR
Benzene SCHEMBL10623824 0.76 TP53 (0.43) TP53TSHR
Ethylene SCHEMBL28663109 0.71
Benzene SCHEMBL9099545 0.71 TP53 (0.38) TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153507-B Preparation method of 2,3-dichloropyridine LIANHE CHEMICAL TECHNOLOGY CO LTD 2012-11-21 CN disclosed
US-8293918-B2 Process for producing dihalopyridines JUBILANT ORGANOSYS LIMITED (IN) 2012-10-23 US disclosed
CN-102153507-A Preparation method of 2,3-dichloropyridine LIANHE CHEMICAL TECHNOLOGY CO LTD 2011-08-17 CN disclosed
CN-101774966-A Process for producing dihalopyridines JUBILANT ORGANOSYS LTD 2010-07-14 CN disclosed
US-20100160641-A1 PROCESS FOR PRODUCING DIHALOPYRIDINES JUBILANT ORGANOSYS LTD. (IN) 2010-06-24 US disclosed
US-20070004937-A1 METHODS FOR THE PREPARATION OF PHOSPHONIC ACID DERIVATIVES FERRO CORPORATION (US) 2007-01-04 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-20100160641-A1 PROCESS FOR PRODUCING DIHALOPYRIDINES QDPR, HDHD5, DDT TP53 3118/4885TSHR 3928/4885
US-20070004937-A1 METHODS FOR THE PREPARATION OF PHOSPHONIC ACID DERIVATIVES PDXK, PPA1, P2RY6 TP53 3849/4885TSHR 2771/4885

“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.