SCHEMBL3728524

SCHEMBL3728524

O=C1CCCC1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
MT-CO2 P00403 5/20 0.38
ALOX5 P09917 5/20 0.38
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
TEK Q02763 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.33
NOS3 P29474 1/20 0.32

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
SCHEMBL31276198 1.00 KMT2A (0.44) KMT2ACA1CA2CA4MT-CO2
SCHEMBL8902053 1.00 KMT2A (0.44) KMT2ACA1CA2CA4MT-CO2
SCHEMBL22397285 0.97 CA1 (0.42) KMT2ACA1CA2CA4MT-CO2
SCHEMBL11955 0.97 CA1 (0.42) KMT2ACA1CA2CA4MT-CO2
SCHEMBL12333841 0.97 CA1 (0.42) KMT2ACA1CA2CA4MT-CO2
SCHEMBL895510 0.97 CA1 (0.42) KMT2ACA1CA2CA4MT-CO2
SCHEMBL120444 0.97 CA1 (0.42) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3477839 0.95 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3721835 0.95 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2
SCHEMBL3397908 0.95 KMT2A (0.50) KMT2ACA1CA2CA4MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290691-B2 Organic el material-containing solution, method for forming organic el thin film, organic el device comprising organic el thin film, and method for manufacturing organic el display panel IDEMITSU KOSAN CO., LTD. (JP) 2016-03-22 US claimed
CN-117957230-A RIP1 kinase inhibitors and uses thereof 维泰瑞隆(北京)生物科技有限公司 2024-04-30 CN disclosed
EP-2117061-B9 ORGANIC EL MATERIAL-CONTAINING SOLUTION AND METHOD FOR FORMING ORGANIC EL THIN FILM IDEMITSU KOSAN CO (JP) 2018-07-04 EP disclosed
EP-2117061-B1 ORGANIC EL MATERIAL-CONTAINING SOLUTION AND METHOD FOR FORMING ORGANIC EL THIN FILM IDEMITSU KOSAN CO (JP) 2017-05-24 EP disclosed
EP-2487150-B1 PROCESS FOR PRODUCING A LACTONE KAO CORP (JP) 2016-12-28 EP disclosed
US-9290691-B2 Organic el material-containing solution, method for forming organic el thin film, organic el device comprising organic el thin film, and method for manufacturing organic el display panel IDEMITSU KOSAN CO., LTD. (JP) 2016-03-22 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-2487150-A1 PROCESS FOR PRODUCING 2-ALKYLCYCLOALKANONE Kao Corporation (JP) 2012-08-15 EP disclosed
US-20100117028-A1 ORGANIC EL MATERIAL-CONTAINING SOLUTION, METHOD FOR FORMING ORGANIC EL THIIN FILM, ORGANIC EL DEVICE COMPRISING ORGANIC EL THIN FILM, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY PANEL IDEMITSU KOSAN CO., LTD. (JP) 2010-05-13 US disclosed
EP-2117061-A1 ORGANIC EL MATERIAL-CONTAINING SOLUTION, METHOD FOR FORMING ORGANIC EL THIN FILM, ORGANIC EL DEVICE COMPRISING ORGANIC EL THIN FILM, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY PANEL Idemitsu Kosan Co., Ltd. (JP) 2009-11-11 EP disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
CN-1301980-C Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2007-02-28 CN disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 US disclosed
CN-1701064-A Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2005-11-23 CN disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C KMT2A 2661/4885CA1 3851/4885CA2 739/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C KMT2A 2661/4885CA1 3851/4885CA2 739/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 KMT2A 3108/4885CA1 1482/4885CA2 214/4885

“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.