Ethylbenzene

Ethylbenzene

SCHEMBL15520454

CCc1ccccc1.CCc1ccccc1.CCc1ccccc1P

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.39
▸ GABRA1 P14867 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ KIF11 P52732 2/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL939264 0.89 — —
Bromide SCHEMBL2965541 0.86 GABRA1 (0.44) TP53ALDH1A1GABRA1GABRB2TAAR1
Iodide SCHEMBL18670641 0.86 GABRA1 (0.44) TP53ALDH1A1GABRA1GABRB2TAAR1
Hydrochloric Acid SCHEMBL27878367 0.86 GABRA1 (0.44) TP53ALDH1A1GABRA1GABRB2TAAR1
Hydrochloric Acid SCHEMBL16830281 0.86 GABRA1 (0.44) TP53ALDH1A1GABRA1GABRB2TAAR1
Ethylbenzene SCHEMBL11185461 0.84 TP53 (0.78) TP53ALDH1A1GABRA1GABRB2PPARG
Ethylbenzene SCHEMBL3227891 0.84 TP53 (0.78) TP53ALDH1A1GABRA1GABRB2PPARG
Ethylbenzene SCHEMBL27633722 0.84 TP53 (0.78) TP53ALDH1A1GABRA1GABRB2PPARG
Ethylbenzene SCHEMBL25402571 0.81 TP53 (0.74) TP53ALDH1A1GABRA1GABRB2PPARG
Ethylbenzene SCHEMBL3987542 0.78 TP53 (1.00) TP53ALDH1A1LOXL2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2708527-B1 ALDEHYDE COMPOUND PRODUCTION METHOD MITSUI CHEMICALS INC (JP) 2019-03-20 — — EP claimed
US-9227925-B2 Process for producing aldehyde compounds MITSUI CHEMICALS, INC. (JP) 2016-01-05 — — US claimed
EP-3663280-B1 METHOD FOR PRODUCING CYANONORBORNENE MITSUI CHEMICALS INC (JP) 2022-08-24 — — EP disclosed
US-10774038-B2 Process for producing cyanonorbornene MITSUI CHEMICALS, INC. (JP) 2020-09-15 — — US disclosed
US-20200239408-A1 PROCESS FOR PRODUCING CYANONORBORNENE MITSUI CHEMICALS, INC. (JP) 2020-07-30 — — US disclosed
EP-3663280-A1 METHOD FOR PRODUCING CYANONORBORNENE Mitsui Chemicals, Inc. (JP) 2020-06-10 — — EP disclosed
EP-2708527-B1 ALDEHYDE COMPOUND PRODUCTION METHOD MITSUI CHEMICALS INC (JP) 2019-03-20 — — EP disclosed
EP-2918576-B1 METHOD FOR PRODUCING ALDEHYDE COMPOUND MITSUI CHEMICALS INC (JP) 2018-10-10 — — EP disclosed
EP-2918575-B1 METHOD FOR PRODUCING ALDEHYDE COMPOUND MITSUI CHEMICALS INC (JP) 2018-09-05 — — EP disclosed
US-9487475-B2 Preparation method of aldehyde compound with limited amount of acrylonitrile MITSUI CHEMICALS, INC. (JP) 2016-11-08 — — US disclosed
US-9475760-B2 Preparation method of aldehyde compound using a metal compound and a phosphorus compound MITSUI CHEMICALS, INC. (JP) 2016-10-25 — — US disclosed
US-9227925-B2 Process for producing aldehyde compounds MITSUI CHEMICALS, INC. (JP) 2016-01-05 — — US disclosed
US-20150299109-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2015-10-22 — — US disclosed
US-20150299108-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND MITSUI CHEMICALS, INC. (JP) 2015-10-22 — — US disclosed
EP-2918576-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND Mitsui Chemicals, Inc. (JP) 2015-09-16 — — EP disclosed
EP-2918575-A1 METHOD FOR PRODUCING ALDEHYDE COMPOUND Mitsui Chemicals, Inc. (JP) 2015-09-16 — — EP disclosed
US-20140088321-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 2014-03-27 — — US disclosed
EP-2708527-A1 ALDEHYDE COMPOUND PRODUCTION METHOD Mitsui Chemicals, Inc. (JP) 2014-03-19 — — 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 (5 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-20140088321-A1 PROCESS FOR PRODUCING ALDEHYDE COMPOUNDS ALDH1A1, ALDH1B1, ALDH5A1 TP53 3752/4885ALDH1A1 1/4885GABRA1 3412/4885
US-10774038-B2 Process for producing cyanonorbornene DCXR, CBR1, CBR3 TP53 3296/4885ALDH1A1 2541/4885GABRA1 2086/4885
US-20150299109-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND ALDH1A1, ALDH1B1, ALDH16A1 TP53 2348/4885ALDH1A1 1/4885GABRA1 3298/4885
US-20150299108-A1 PREPARATION METHOD OF ALDEHYDE COMPOUND ALDH1A1, ALDH1B1, ALDH5A1 TP53 3198/4885ALDH1A1 1/4885GABRA1 3451/4885
US-20200239408-A1 PROCESS FOR PRODUCING CYANONORBORNENE DCXR, CBR1, CBR3 TP53 3296/4885ALDH1A1 2541/4885GABRA1 2086/4885

“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.

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