Benzene

Benzene

SCHEMBL1319072

CC(OC(N)=O)[Si](C)(C)C.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.36
F2 P00734 1/20 0.31
PLAU P00749 1/20 0.31
ELANE P08246 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL530525 0.93 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
Benzene SCHEMBL8861746 0.75 TSHR (0.46) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL530220 0.75 TSHR (0.33) TSHR
SCHEMBL6724769 0.72 TSHR (0.35) TSHR
SCHEMBL530219 0.72 TSHR (0.35) TSHR
SCHEMBL6724775 0.71 TSHR (0.31) TSHR
SCHEMBL22325533 0.70 TSHR (0.52) TSHRCHRM2CHRM4CHRM1MAPT
SCHEMBL4186678 0.70
SCHEMBL467571 0.70 LMNA (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL26980836 0.70 CHRM2 (0.30) LMNATSHRCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
EP-3615544-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-4101855-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 EP disclosed
US-11713325-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2023-08-01 US disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
WO-2023067132-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2023-04-27 WO disclosed
EP-3615544-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-03-22 EP disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
CN-101932592-B Antitumoral compounds PHARMA MAR SA 2014-02-26 CN disclosed
US-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-11-03 US disclosed
CN-101932592-A Antineoplastic compound PHARMA MAR SA 2010-12-29 CN disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 WO 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 (6 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-20110269972-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS SCO2, CBR3, HCCS LMNA 4107/4885TSHR 839/4885CHRM2 191/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL LMNA 1254/4885TSHR 1530/4885CHRM2 4323/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS LMNA 2287/4885TSHR 1377/4885CHRM2 56/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 LMNA 1898/4885TSHR 4670/4885CHRM2 4849/4885
US-11713325-B2 Antitumoral compounds TP53, TOP1, MCL1 LMNA 1898/4885TSHR 4670/4885CHRM2 4849/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 LMNA 3861/4885TSHR 1572/4885CHRM2 4501/4885

“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.