SCHEMBL4449828

SCHEMBL4449828

Cc1ccc(C(C)(C)C)c(S)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TYR P14679 2/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 2/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 3/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATP2A2 P16615 1/20 0.33

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
SCHEMBL333952 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL10410187 0.81 CYP2A6 (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP2A6TDP1
SCHEMBL25005769 0.79 MEN1 (0.32) SMN1; SMN2CYP1A2CYP2A6HTTMAPT
SCHEMBL17594923 0.77 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL9292631 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TYRCA2TSHR
SCHEMBL114856 0.75 TDP1 (0.44) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL12773798 0.74 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL6371416 0.74 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL15485283 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TYRCA2POLB
SCHEMBL180815 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TYRCA2POLB

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-20190131549-A1 METAL COMPLEXES UEA ENTERPRISES LIMITED (GB) 2019-05-02 US claimed
EP-3350189-A1 METAL COMPLEXES UEA Enterprises Limited (GB) 2018-07-25 EP claimed
WO-2017046572-A1 METAL COMPLEXES UNIVERSITY OF EAST ANGLIA (GB) 2017-03-23 WO claimed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
EP-3350189-B1 METAL COMPLEXES UEA ENTERPRISES LTD (GB) 2021-03-10 EP disclosed
US-10700295-B2 Metal complexes UEA ENTERPRISES LIMITED (GB) 2020-06-30 US disclosed
US-20190131549-A1 METAL COMPLEXES UEA ENTERPRISES LIMITED (GB) 2019-05-02 US disclosed
EP-3350189-A1 METAL COMPLEXES UEA Enterprises Limited (GB) 2018-07-25 EP disclosed
WO-2017046572-A1 METAL COMPLEXES UNIVERSITY OF EAST ANGLIA (GB) 2017-03-23 WO disclosed
US-7550639-B2 Process for producing olefin oligomer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-23 US disclosed
US-7323611-B2 Process for producing olefin oligomer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-01-29 US disclosed
US-20040186009-A1 Catalyst component and catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-23 US disclosed
US-6548443-B1 A transition metal compound having a cyclopentadiene in its molecule with a modified aluminum oxy compound obtained by reacting an aluminum oxy with a compound having a hydroxyl; improvement of the catalyst activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-20010053832-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-20 US disclosed
EP-1134234-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-19 EP disclosed
EP-1081167-A1 Olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-07 EP disclosed
US-6046355-A TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS WARNER-LAMBERT COMPANY (US) 2000-04-04 US disclosed
EP-0935597-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1999-08-18 EP disclosed
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US disclosed
WO-1998019997-A2 DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1998-05-14 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-20190131549-A1 METAL COMPLEXES AP1M1, AP2M1, APOL1 ALDH1A1 807/4885SMN1; SMN2 4736/4885TYR 551/4885
US-10700295-B2 Metal complexes AP1M1, AP2M1, APOL1 ALDH1A1 807/4885SMN1; SMN2 4736/4885TYR 551/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 ALDH1A1 2826/4885SMN1; SMN2 2881/4885TYR 2434/4885

“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.