Benzene

Benzene

SCHEMBL7782037

N#CS.N#CS.c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
TSHR P16473 2/20 0.35
TP53 P04637 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
Benzene SCHEMBL6579914 1.00
Benzene SCHEMBL8508588 0.95 CA1 (0.60) CA1CA2TSHRTP53
Thiocyanic Acid SCHEMBL10422783 0.82
Thiocyanic Acid SCHEMBL10422784 0.82
Thiocyanic Acid SCHEMBL8900 0.82
Thiocyanic Acid SCHEMBL435605 0.82
Thiocyanic Acid SCHEMBL22439 0.82
Thiocyanic Acid SCHEMBL8543600 0.82
Thiocyanic Acid SCHEMBL6298414 0.82
Thiocyanic Acid SCHEMBL18153982 0.82 CA1 (1.00) CA1CA2

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
EP-3222694-B1 MECHANOCHROMIC LUMINESCENT MATERIAL, MECHANOCHROMIC RESIN OBTAINED BY CROSSLINKING MECHANOCHROMIC LUMINESCENT MATERIAL, METHOD FOR PRODUCING MECHANOCHROMIC LUMINESCENT MATERIAL, AND METHOD FOR PRODUCING MECHANOCHROMIC RESIN JAPAN SCIENCE & TECH AGENCY (JP) 2021-06-09 EP disclosed
CN-107109212-B Mechanochromic light-emitting material, mechanochromic resin obtained by crosslinking mechanochromic light-emitting material, and methods for producing both 国立研究开发法人科学技术振兴机构 2020-02-14 CN disclosed
US-10442886-B2 Mechanochromic luminescent material, mechanochromic resin obtained by crosslinking mechanochromic luminescent material, method for producing mechanochromic luminescent material, and method for producing mechanochromic JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-10-15 US disclosed
US-20190031820-A1 MECHANOCHROMIC LUMINESCENT MATERIAL, MECHANOCHROMIC RESIN OBTAINED BY CROSSLINKING MECHANOCHROMIC LUMINESCENT MATERIAL, METHOD FOR PRODUCING MECHANOCHROMIC LUMINESCENT MATERIAL, AND METHOD FOR PRODUCING MECHANOCHROMIC JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2019-01-31 US disclosed
EP-3222694-A1 MECHANOCHROMIC LUMINESCENT MATERIAL, MECHANOCHROMIC RESIN OBTAINED BY CROSSLINKING MECHANOCHROMIC LUMINESCENT MATERIAL, METHOD FOR PRODUCING MECHANOCHROMIC LUMINESCENT MATERIAL, AND METHOD FOR PRODUCING MECHANOCHROMIC RESIN Japan Science and Technology Agency (JP) 2017-09-27 EP disclosed
EP-1138762-A1 METHOD FOR IMMOBILIZING OLIGONUCLEOTIDE ON A CARRIER Takara Shuzo Co, Ltd. (JP) 2001-10-04 EP 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-10442886-B2 Mechanochromic luminescent material, mechanochromic resin obtained by crosslinking mechanochromic luminescent material, method for producing mechanochromic luminescent material, and method for producing mechanochromic RAD51, PIEZO1, F12 CA1 2764/4885CA2 1756/4885TSHR 2244/4885

“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.