Benzene

Benzene

SCHEMBL434440

c1cc2ccc1-2.c1ccccc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TAAR1 Q96RJ0 2/20 0.53
CYP1A2 P05177 2/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MMP3 P08254 1/20 0.53
BCL2L1 Q07817 1/20 0.53
TP53 P04637 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MGLL Q99685 1/20 0.44
KIF11 P52732 1/20 0.44
NOTUM Q6P988 1/20 0.44
ALOX5 P09917 1/20 0.42
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40

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
SCHEMBL29713847 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
Biphenyl SCHEMBL895675 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
SCHEMBL18674172 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
Tannin Pyrogallol SCHEMBL21448 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
SCHEMBL1991754 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
SCHEMBL827097 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
Tannin Pyrogallol SCHEMBL11689471 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
SCHEMBL143471 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
SCHEMBL2637802 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2
Tannin Pyrogallol SCHEMBL3486430 0.89 ALDH1A1 (0.90) ALDH1A1CYP3A4TDP1TAAR1CYP1A2

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854777-A Biological image probe unit, biological image nano probe, preparation method and application 中国科学院苏州纳米技术与纳米仿生研究所 2023-10-10 CN claimed
CN-102405039-A Cosmetic or dermatological composition comprising a polymer containing linking groups, and cosmetic treatment method OREAL 2012-04-04 CN claimed
WO-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO claimed
EP-1188744-B1 Process for producing optically active 1H-3-aminopyrrolidine and derivatives thereof MITSUBISHI CHEM CORP (JP) 2005-11-02 EP claimed
US-6531594-B2 Reacting an amino-protected aspartic anhydride with an aralkylamine, cyclodehydration to obtain a 1-aralkyl-3-(protected amino)pyrrolidine-2,5-dione, reducing carbonyl groups, then hydrogenolysis; carbapenems, drug intermediate MITSUBISHI CHEMICAL CORPORATION (JP) 2003-03-11 US claimed
US-20020042523-A1 Process for producing 1H-3-aminopyrrolidine and derivatives thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-11 US claimed
EP-1188744-A1 Process for producing 1H-3-aminopyrrolidine and derivatives thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-20 EP claimed
EP-0442399-B1 Wholly aromatic polyamides, process for preparing them and moulded articles thereof HOECHST AG (DE) 1995-05-10 EP claimed
EP-0424860-B1 Wholly aromatic polyamides, process for their preparation and products therefrom HOECHST AG (DE) 1993-12-01 EP claimed
EP-0364892-B1 WHOLLY AROMATIC POLYAMIDES, PROCESS FOR PRODUCING THE SAME AND SHAPED ARTICLES HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-09 EP claimed
EP-0364891-B1 WHOLLY AROMATIC POLYAMIDES, PROCESS FOR PRODUCING THE SAME AND SHAPED ARTICLES HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-09 EP claimed
EP-0364893-B1 WHOLLY AROMATIC POLYAMIDES, PROCESS FOR PRODUCING THE SAME AND SHAPED ARTICLES HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-19 EP claimed
US-5097015-A Fibers, filaments, films and sheets HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-17 US claimed
EP-0442399-A2 Wholly aromatic polyamides, process for preparing them and moulded articles thereof HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-21 EP claimed
EP-0424860-A2 Wholly aromatic polyamides, process for their preparation and products therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1991-05-02 EP claimed
EP-0396020-A2 Fibrous material from homogeneous alloys of aromatic polyamides and poly-N-vinyl-pyrrolidone, process for their preparation and application HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-07 EP claimed
EP-0364891-A2 Wholly aromatic polyamides, process for producing the same and shaped articles HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP claimed
EP-0364893-A2 Wholly aromatic polyamides, process for producing the same and shaped articles HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP claimed
EP-0364892-A2 Wholly aromatic polyamides, process for producing the same and shaped articles HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-25 EP claimed
US-3992143-A DISAZO AND TRIAZO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US claimed

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-20020042523-A1 Process for producing 1H-3-aminopyrrolidine and derivatives thereof ASPH, ALDH7A1, AASDHPPT ALDH1A1 355/4885CYP3A4 2041/4885TDP1 3470/4885

“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.