SCHEMBL22601641

SCHEMBL22601641

Cc1ccccc1-c1c(OCc2ccccc2)cc(C(=O)OC(C)(C)C)cc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
PTGER1 P34995 4/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC7A5 Q01650 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL10253000 0.82 SMPD1 (0.44) RXRARXRBRXRGFFAR4HPGD
SCHEMBL9204010 0.81 RXRA (0.48) RXRARXRBRXRGPTGER1HPGD
SCHEMBL644658 0.81 SMPD1 (0.48) RXRARXRBRXRGHPGDLMNA
SCHEMBL9200286 0.81 RXRA (0.46) RXRARXRBRXRGPTGER1FFAR4
SCHEMBL9393208 0.78 SLC7A5 (0.45) RXRARXRBRXRGPTGER1HPGD
SCHEMBL28903577 0.78 HPGD (0.52) RXRAHPGDLMNAMRGPRX4NPC1
SCHEMBL30102553 0.78 HPGD (0.52) RXRAHPGDLMNAMRGPRX4NPC1
SCHEMBL10252815 0.77 L3MBTL1 (0.41) RXRARXRBRXRGFFAR4HPGD
SCHEMBL10253055 0.77 HPGD (0.41) RXRARXRBRXRGFFAR4HPGD
SCHEMBL28295384 0.77 RXRA (0.52) RXRARXRBRXRGPTGER1HPGD

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 2 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

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 RXRA 998/4885RXRB 992/4885RXRG 1225/4885
US-20200339529-A1 METHOD FOR THE METAL-FREE PREPARATION OF A BIARYL BY A PHOTOSPLICING REACTION AND THEIR USES CBR3, POR, CYP2F1 RXRA 998/4885RXRB 992/4885RXRG 1225/4885

“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.