Sugi Predict

Sugi Predict / Compounds / SCHEMBL3029503

SCHEMBL3029503

SCHEMBL3029503

CCCc1cccc(C(C)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ UGT2B7 P16662 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL27910194 0.86 CNR1 (0.42) LMNACNR1CNR2GRIN2DGRIN3B
SCHEMBL26672647 0.85 TDP1 (0.45) KDM4ELMNAMEN1KMT2AUGT2B7
SCHEMBL28037741 0.85 TDP1 (0.45) KDM4ELMNAMEN1KMT2AUGT2B7
SCHEMBL3919970 0.84 PTGS2 (0.46) KDM4ELMNAMEN1KMT2AUGT2B7
SCHEMBL3919972 0.84 PTGS2 (0.46) KDM4ELMNAMEN1KMT2AUGT2B7
SCHEMBL11797022 0.84 CTSS (0.43) KDM4ECNR1CNR2GRIN2DGRIN3B
SCHEMBL196988 0.83 TAAR1 (0.53) KDM4ELMNAMEN1KMT2AUGT2B7
SCHEMBL24324366 0.81 TAAR1 (0.41) CNR1CNR2GRIN2DGRIN3BGRIN1
SCHEMBL3029500 0.81 DAO (0.39) CNR1CNR2GRIN2DGRIN3BGRIN1
SCHEMBL16958298 0.81 CNR1 (0.37) CNR1CNR2GRIN2DGRIN3BGRIN1

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-10588962-B2 Carbohydrate-glycolipid conjugate vaccines MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-03-17 — — US disclosed
US-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-08-27 — — US disclosed
US-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-08-27 — — US disclosed
EP-2827899-B1 POLYSACCHARIDE ANTIGEN-GLYCOLIPID CONJUGATE VACCINES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2015-08-05 — — EP disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 — — EP disclosed
WO-2013178236-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2013-12-05 — — WO disclosed
WO-2013139803-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-09-26 — — WO disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 — — EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 — — US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 — — US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 — — US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 — — US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — 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-20150238597-A1 CARBOHYDRATE-GLYCOLIPID CONJUGATE VACCINES STT3B, STT3A, DDOST KDM4E 4082/4885LMNA 3385/4885MEN1 2616/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KDM4E 1219/4885LMNA 2721/4885MEN1 1020/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 KDM4E 892/4885LMNA 4742/4885MEN1 4247/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 KDM4E 773/4885LMNA 4683/4885MEN1 4533/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KDM4E 2010/4885LMNA 4340/4885MEN1 1851/4885
US-10588962-B2 Carbohydrate-glycolipid conjugate vaccines STT3B, STT3A, DDOST KDM4E 4082/4885LMNA 3385/4885MEN1 2616/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KDM4E 988/4885LMNA 1091/4885MEN1 3512/4885

“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.