SCHEMBL21026201

SCHEMBL21026201

COC(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
HPGD P15428 3/20 0.66
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 2/20 0.66
TSHR P16473 2/20 0.66
GAA P10253 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
HDAC1 Q13547 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.56
NOTUM Q6P988 1/20 0.56
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL64502 0.94 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL22914689 0.90 NPC1 (0.61) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL3511686 0.87 HDAC6 (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL8615923 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL19387238 0.85 CA1 (0.70) ALDH1A1KDM4ETSHRMAPTRAB9A
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.85 CA1 (0.70) ALDH1A1KDM4ETSHRMAPTRAB9A
SCHEMBL14563245 0.85 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL12472851 0.84 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL18821732 0.84 NPC1 (0.67) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL13264716 0.84 ALDH1A1 (0.60) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1

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 4 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

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-11485721-B2 Method for the metal-free preparation of a biaryl by a photosplicing reaction and their uses CBR3, POR, CYP2F1 ALDH1A1 809/4885HPGD 2061/4885KDM4E 3674/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 ALDH1A1 809/4885HPGD 2061/4885KDM4E 3674/4885

“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.