SCHEMBL35823

SCHEMBL35823

COC(=O)c1ccc(OC)c(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.58
EGFR P00533 1/20 0.57
MAPT P10636 1/20 0.55
CTSA P10619 2/20 0.53
TSHR P16473 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ACLY P53396 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HIF1A Q16665 1/20 0.49
SYK P43405 1/20 0.48
AURKB Q96GD4 1/20 0.48
INCENP Q9NQS7 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HCRTR1 O43613 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7501527 0.89 EGFR (0.69) PTGS2EGFRMAPTTSHRKMT2A
SCHEMBL31222697 0.87 EGFR (0.61) PTGS2EGFRMAPTTSHRKMT2A
SCHEMBL30516742 0.87 CTSA (0.53) MAPTCTSAKMT2ALMNAACLY
SCHEMBL402416 0.87 CA12 (0.62) EGFRCTSATSHRKMT2ALMNA
SCHEMBL24625565 0.86 CA12 (0.58) PTGS2EGFRMAPTKMT2ALMNA
SCHEMBL9524595 0.85 SYK (0.63) MAPTCTSAKMT2ALMNAALDH1A1
SCHEMBL3976152 0.85 NPC1 (0.60) MAPTCTSATSHRKMT2ALMNA
SCHEMBL10458005 0.85 PTGS2 (0.76) PTGS2EGFRMAPTTSHRKMT2A
SCHEMBL3205541 0.84 LMNA (0.59) EGFRTSHRLMNATDP1RAB9A
SCHEMBL5991136 0.84 MKNK1 (0.56) CTSATSHRKMT2ALMNAALDH1A1

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
CN-114702444-B AHA1 inhibitor with multiple myeloma resistance and preparation method and application thereof 南京中医药大学 2023-09-12 CN disclosed
CN-114702444-A AHA1 inhibitor with multiple myeloma resisting effect and preparation method and application thereof 南京中医药大学 2022-07-05 CN disclosed
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-8513220-B2 Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity ALLERGAN, INC. (US) 2013-08-20 US disclosed
EP-2569322-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY Allergan, Inc. (US) 2013-03-20 EP disclosed
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2013-01-17 US disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
EP-0889889-B1 PIPERAZINE AND PIPERIDINE COMPOUNDS DUPHAR INT RES (NL) 2006-09-20 EP disclosed
US-6225312-B1 TREATING A CNS DISORDER SUCH AS SCHIZOPHRENIA DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2001-05-01 US disclosed
EP-0889889-A1 PIPERAZINE AND PIPERIDINE COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-01-13 EP disclosed
WO-1997036893-A1 PIPERAZINE AND PIPERIDINE COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1997-10-09 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 (2 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 PTGS2 765/4885EGFR 682/4885MAPT 2930/4885
US-20130018019-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY S1PR1, S1PR3, S1PR2 PTGS2 4351/4885EGFR 1590/4885MAPT 2042/4885

“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.