SCHEMBL12417824

SCHEMBL12417824

CC(C)CCOc1cccc(C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
TSHR P16473 1/20 0.62
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GALR3 O60755 1/20 0.46
HSP90AA1 P07900 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.44
GRM2 Q14416 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL13251244 0.91 KDM4E (0.60) KDM4ETSHRALDH1A1LMNASMN1; SMN2
1,3-Diisopentoxybenzene SCHEMBL2846359 0.87 TDP1 (0.57) KDM4ETSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL23621877 0.86 KDM4E (0.59) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL28032740 0.86 TDP1 (0.50) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL23869384 0.85 KDM4E (0.57) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5018851 0.84 KDM4E (0.69) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL18353918 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4854291 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL10224193 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL6480911 0.82 KDM4E (0.62) KDM4ETSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292323-A1 Quinolone Derivatives as Fibroblast Growth Factor Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2021-09-23 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-06-07 US disclosed
US-20180065960-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2018-03-08 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-9567334-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-14 US disclosed
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-08-11 US disclosed
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-07-14 US disclosed
WO-2015120049-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2015-08-13 WO disclosed
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 US disclosed
US-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. (US) 2011-07-14 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US 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 (7 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-20110172299-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES TUBB6, TUBB3, TUBB2A KDM4E 3706/4885TSHR 3912/4885ALDH1A1 587/4885
US-20180155340-A1 QUINOLONE DERIVATIVES AS FGFR INHIBITORS FGFR1, FGFR3, FGFR2 KDM4E 1583/4885TSHR 3940/4885ALDH1A1 886/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 KDM4E 3641/4885TSHR 1134/4885ALDH1A1 1978/4885
US-20160200725-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 KDM4E 2775/4885TSHR 3036/4885ALDH1A1 1116/4885
US-20210292323-A1 Quinolone Derivatives as Fibroblast Growth Factor Inhibitors FGFR1, FGFR3, FGFR2 KDM4E 1870/4885TSHR 3801/4885ALDH1A1 938/4885
US-20160229849-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 KDM4E 2775/4885TSHR 3036/4885ALDH1A1 1116/4885
US-20180065960-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS FGFR1, FGFR3, FGFR2 KDM4E 2775/4885TSHR 3036/4885ALDH1A1 1116/4885

“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.