SCHEMBL20936941

SCHEMBL20936941

COC(=O)c1ccccc1-c1cc(C)cc(N(Cc2ccccn2)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ SLC6A3 Q01959 4/20 0.40
▸ SLC6A4 P31645 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ BDKRB1 P46663 5/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL19512884 0.88 KDM4E (0.43) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL20936928 0.87 KDM4E (0.42) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL19512883 0.86 TSPO (0.43) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL19513124 0.83 POLB (0.40) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL30285223 0.83 POLB (0.40) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL19512686 0.82 LTB4R2 (0.39) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL19512656 0.82 LTB4R2 (0.38) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL19512887 0.77 KDM4E (0.49) LMNAHTTKDM4EALDH1A1ALOX15
SCHEMBL30285019 0.74 KMT2A (0.46) LMNAKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL17992351 0.74 KDM4E (0.49) LMNAHTTKDM4EALDH1A1ALOX15

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-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates THE SCRIPPS RESEARCH INSTITUTE (US) 2020-06-30 — — US disclosed
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 — — 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-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS AHR, PAH, DOHH LMNA 4535/4885HTT 504/4885KDM4E 3516/4885
US-10696635-B2 Versatile ligand for palladium-catalyzed meta-C—H functionalizations of aromatic substrates PAH, AHR, DDC LMNA 4270/4885HTT 686/4885KDM4E 3453/4885

“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.

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