Benzene

Benzene

SCHEMBL1835281

CCC(C)c1cccc(O)c1C(C)CC.c1ccccc1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
GABRA1 P14867 4/20 0.47
GABRB2 P47870 3/20 0.47
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
RORC P51449 1/20 0.43
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL31330562 0.98 TSHR (0.70) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL560097 0.98 TSHR (0.70) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL560269 0.98 TSHR (0.70) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL355986 0.98 TSHR (0.70) TSHRGABRA1GABRB2HDAC4HDAC2
Ethylene SCHEMBL15018849 0.94 TSHR (0.66) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL3576125 0.86 TSHR (0.61) TSHRGABRA1GABRB2HDAC4HDAC2
Benzene SCHEMBL1840471 0.85 TSHR (0.57) TSHRGABRA1GABRB2HDAC4HDAC2
Benzene SCHEMBL1836843 0.84 TSHR (0.95) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL28343869 0.84 TSHR (0.59) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL2371854 0.83 TSHR (0.58) TSHRGABRA1GABRB2HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 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 (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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885GABRA1 1573/4885GABRB2 1720/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH TSHR 2998/4885GABRA1 1573/4885GABRB2 1720/4885

“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.