SCHEMBL732861

SCHEMBL732861

COc1c[c]ccc1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.40
NFE2L2 Q16236 1/20 0.39
ERN1 O75460 1/20 0.38
HTR7 P34969 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL8122809 0.87 PDE2A (0.38) KCNN4NFE2L2TDP1L3MBTL1NPC1
SCHEMBL28892084 0.86 APP (0.42) KCNN4NFE2L2HTR7TDP1L3MBTL1
SCHEMBL2372581 0.85 APP (0.47) HTR7TDP1CA12CA1CA2
SCHEMBL6541679 0.83 CA1 (0.38) HTR7TDP1L3MBTL1CA12CA1
SCHEMBL28141450 0.82 NFE2L2 (0.33) NFE2L2TDP1L3MBTL1CA12CA1
SCHEMBL3540005 0.81 HTR7 (0.42) HTR7TDP1CA12CA1CA2
SCHEMBL2686922 0.80 KCNN4 (0.39) KCNN4L3MBTL1ALDH1A1
SCHEMBL7683316 0.80 KCNN4 (0.42) KCNN4ALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL27588468 0.79 ALDH1A1 (0.47) HTR7TDP1L3MBTL1CA12CA1
SCHEMBL27606481 0.79 TP53 (0.47) KCNN4L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 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 (1 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 KCNN4 487/4885NFE2L2 1508/4885ERN1 719/4885

“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.