SCHEMBL2888693

SCHEMBL2888693

CC(C)c1ccccc1Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
CHRNA7 P36544 2/20 0.41
PTPN1 P18031 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A4 P31645 1/20 0.40
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL30389926 0.86 GABRA1 (0.48) GABRA1GABRB2FAAHCA1CA2
SCHEMBL4808650 0.86 GABRA1 (0.48) GABRA1GABRB2FAAHCA1CA2
SCHEMBL5318161 0.86 L3MBTL1 (0.46) GABRA1GABRB2MAPTKDM4EMAPK1
SCHEMBL5313607 0.84 CYP2C9 (0.51) GABRA1GABRB2MAPTFAAHCA1
SCHEMBL14113377 0.84 SLC6A4 (0.50) GABRA1GABRB2CHRNA7MAPTSLC6A4
SCHEMBL4801714 0.81 MMP2 (0.52) CA1CA2HTR1AHTR3AMMP2
SCHEMBL9235115 0.79 SIRT1 (0.47) SIRT1MAPTLMNACYP3A4HPGD
SCHEMBL24763978 0.78 MAPT (0.44) SIRT1CHRNA7PTPN1CDC25ACDC25B
SCHEMBL9400715 0.78 MMP2 (0.40) SIRT1CHRNA7MAPTKDM4ENSD2
SCHEMBL4801169 0.77 HTR1A (0.50) CYP1A2CYP3A4HTR1AHTR3ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696492-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-04 US disclosed
US-20220393117-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-12-08 US disclosed
US-20210292351-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-09-23 US disclosed
US-20200220090-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-07-09 US disclosed
WO-2013016531-A2 COMPOUNDS AND METHODS FOR USE IN TREATING NEOPLASIA AND CANCER PURDUE RESEARCH FOUNDATION (US) 2013-01-31 WO disclosed
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 US disclosed
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-7683218-B2 Method for producing thioether compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-23 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
US-20080108823-A1 Method For Producing Thioether Compound MSD K.K. (JP) 2008-05-08 US disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 EP disclosed
EP-1806337-A1 METHOD FOR PRODUCING THIOETHER COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-11 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 (6 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-20220393117-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NPY1R, NPY2R, KISS1R GABRA1 1189/4885GABRB2 717/4885SIRT1 14/4885
US-20210292351-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OSBP, OCIAD1 GABRA1 4643/4885GABRB2 4321/4885SIRT1 3602/4885
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 GABRA1 4061/4885GABRB2 4058/4885SIRT1 208/4885
US-20200220090-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ODC1 GABRA1 2900/4885GABRB2 2043/4885SIRT1 2110/4885
US-20080108823-A1 Method For Producing Thioether Compound TST, MPST, PPIP5K2 GABRA1 2798/4885GABRB2 1359/4885SIRT1 4118/4885
US-11696492-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, ODC1 GABRA1 2900/4885GABRB2 2043/4885SIRT1 2110/4885

“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.