SCHEMBL732990

SCHEMBL732990

COC(=O)c1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.58
HDAC6 Q9UBN7 4/20 0.52
TNFRSF1A P19438 3/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HDAC2 Q92769 3/20 0.50
CD274 Q9NZQ7 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
ERN1 O75460 2/20 0.48
TSHR P16473 1/20 0.47
EGFR P00533 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 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
SCHEMBL13305638 0.85 APP (0.54) APPTNFRSF1ACA1CA2CA9
SCHEMBL28073077 0.83 APP (0.63) APPHDAC6TNFRSF1ACA1CA2
SCHEMBL6092134 0.82 TNFRSF1A (0.52) APPHDAC6TNFRSF1AHDAC2CD274
SCHEMBL731486 0.81 APP (0.65) APPTNFRSF1ACA1CA2CA9
SCHEMBL21044569 0.81 ERN1 (0.50) APPTNFRSF1ACA1CA2CA9
SCHEMBL9431168 0.81 BCL2L1 (0.51) APPHDAC6TNFRSF1ACA1CA2
SCHEMBL498889 0.80 ESR1 (0.60) APPHDAC6CA1CA2CA9
SCHEMBL7636737 0.80 MAPT (0.55) APPHDAC6TNFRSF1ACA1CA2
SCHEMBL22000121 0.80 HDAC2 (0.54) APPTNFRSF1ACA1CA2CA9
SCHEMBL2873120 0.80 IKBKB (0.48) SLC6A3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e. V. Hans-Knöll-Institut (DE) 2022-11-01 US disclosed
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL-INSTITUT (HKI) (DE) 2020-10-29 US disclosed
WO-2019101679-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES LEIBNIZ-INSTITUT FÜR NATURSTOFF-FORSCHUNG UND INFEKTIONSBIOLOGIE E.V. HANS-KNÖLL INSTITUT (HKI) (DE) 2019-05-31 WO disclosed
EP-3486229-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES Leibniz-Institut für Naturstoff-Forschung und Infektionsbiologie e.V. -Hans-Knöll-Institut- (HKI) (DE) 2019-05-22 EP disclosed
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 APP 4645/4885HDAC6 605/4885TNFRSF1A 3181/4885
US-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses CBR3, POR, CYP2F1 APP 2355/4885HDAC6 2428/4885TNFRSF1A 4306/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 APP 2355/4885HDAC6 2428/4885TNFRSF1A 4306/4885

“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.