Ethylbenzene

Ethylbenzene

SCHEMBL5698698

CCC(N)(c1ccccc1)c1ccccc1.CCc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
KIF11 P52732 6/20 0.49
TAAR1 Q96RJ0 2/20 0.45
SLC6A2 P23975 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNN4 O15554 2/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL147712 0.89 KCNN4 (0.52) TP53KIF11TAAR1SLC6A2KMT2A
Iodide SCHEMBL28805520 0.86 KCNN4 (0.50) TP53KIF11TAAR1SLC6A2KMT2A
Hydrochloric Acid SCHEMBL317557 0.86 KCNN4 (0.50) TP53KIF11TAAR1SLC6A2KMT2A
Bromide SCHEMBL28680752 0.86 KCNN4 (0.50) TP53KIF11TAAR1SLC6A2KMT2A
Ethylbenzene SCHEMBL27403156 0.79 TP53 (0.78) TP53KIF11TAAR1SLC6A2MEN1
SCHEMBL6307824 0.78 MAPT (0.44) KIF11TAAR1SLC6A2KCNN4CYP1A2
Ethylbenzene SCHEMBL9618498 0.78 TP53 (0.88) TP53KIF11TAAR1SLC6A2CYP1A2
Ethylbenzene SCHEMBL1312847 0.78 TP53 (0.88) TP53KIF11TAAR1SLC6A2CYP1A2
Ethylbenzene SCHEMBL1330604 0.78
Ethylbenzene SCHEMBL7458207 0.78 TP53 (1.00) TP53TAAR1CYP1A2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 2013-07-25 US disclosed
US-20060229470-A1 Calcium receptor-active molecules NPS PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
EP-1366764-B1 Method of screening for calcium receptor-active molecules BRIGHAM & WOMENS HOSPITAL (US) 2006-06-28 EP disclosed
EP-1632470-A2 Calcium receptor active molecules NPS PHARMACEUTICALS, INC. (US) 2006-03-08 EP disclosed
EP-1281702-B1 Calcium receptor active molecules NPS PHARMA INC (US) 2005-12-21 EP disclosed
EP-1296142-B1 Screening method for calcium receptor active molecules NPS PHARMA INC (US) 2005-12-07 EP disclosed
EP-1466888-A1 Calcium receptor-active arylalkyl amines NPS PHARMACEUTICALS, INC. (US) 2004-10-13 EP disclosed
EP-0637237-B1 CALCIUM RECEPTOR-ACTIVE MOLECULES BRIGHAM & WOMENS HOSPITAL (US) 2004-05-19 EP disclosed
EP-0724561-B1 CALCIUM RECEPTOR-ACTIVE ARYLALKYL AMINES NPS PHARMA INC (US) 2004-04-14 EP disclosed
EP-1366764-A1 Method of screening for calcium receptor-active molecules The Brigham & Women's Hospital, Inc. (US) 2003-12-03 EP disclosed
US-5858684-A CONTACTING RECOMBINANT CELL WITH TEST COMPOUND WHICH IS NOT VERAPAMIL OR GALLOPAMIL, DETERMINING ABILITY OF COMPOUND TO AFFECT ACTIVITIES OF INORGANIC ION RECEPTOR; DETERMINATION OF AGONIST AND ANTAGONIST DRUGS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1999-01-12 US disclosed
US-5763569-A POLYPEPTIDES AS CALCIUM RECEPTORS TO GENERATE ANTIBODIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC (US) 1998-06-09 US disclosed
US-5688938-A Calcium receptor-active molecules THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 1997-11-18 US disclosed
EP-0724561-A1 CALCIUM RECEPTOR-ACTIVE ARYLALKYL AMINES NPS PHARMACEUTICALS, INC. (US) 1996-08-07 EP disclosed
WO-1996005818-A1 METHODS AND COMPOUNDS ACTIVE AT METABOTROPIC GLUTAMATE RECEPTORS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1996-02-29 WO disclosed
EP-0657029-A4 CALCIUM RECEPTOR ACTIVE MOLECULES. NPS PHARMA INC (US) 1996-02-07 EP disclosed
EP-0657029-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1995-06-14 EP disclosed
WO-1995011221-A1 CALCIUM RECEPTOR-ACTIVE ARYLALKYL AMINES NPS PHARMACEUTICALS, INC. (US) 1995-04-27 WO disclosed
EP-0637237-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1995-02-08 EP disclosed
WO-1993004373-A1 CALCIUM RECEPTOR ACTIVE MOLECULES NPS PHARMACEUTICALS, INC. (US) 1993-03-04 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 (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-20060229470-A1 Calcium receptor-active molecules CASR, CALCR, ORAI1 TP53 1925/4885KIF11 4670/4885TAAR1 938/4885
US-20130190407-A1 CALCIUM RECEPTOR-ACTIVE MOLECULES CASR, CALCR, ORAI1 TP53 1925/4885KIF11 4670/4885TAAR1 938/4885

“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.