SCHEMBL20636622

SCHEMBL20636622

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)c(C)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 3/20 0.36
UCHL1 P09936 1/20 0.36
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
HIF1A Q16665 2/20 0.32
DGAT1 O75907 1/20 0.32
TARBP2 Q15633 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.31
CSF1R P07333 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
ABL1 P00519 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL1919908 0.87 HSD17B10 (0.39) KDM4EALDH1A1HPGDPOLBUCHL1
SCHEMBL17201112 0.84 UCHL1 (0.34) KDM4EALDH1A1HPGDPOLBUCHL1
SCHEMBL20477784 0.83 KDM4E (0.39) KDM4EALDH1A1HPGDPOLBUCHL1
SCHEMBL20636640 0.83 UCHL1 (0.34) KDM4EALDH1A1HPGDUCHL1HSD17B10
SCHEMBL18107886 0.82 CA12 (0.37) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL31092591 0.81 UCHL1 (0.34) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL24031433 0.80 TARBP2 (0.34) KDM4EALDH1A1HPGDUCHL1TARBP2
SCHEMBL9980580 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDNPSR1UCHL1
SCHEMBL23698878 0.79 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL29570855 0.79 UCHL1 (0.34) KDM4EALDH1A1HPGDUCHL1HSD17B10

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
EP-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 EP disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 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-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 KDM4E 540/4885ALDH1A1 2614/4885HPGD 4739/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 KDM4E 540/4885ALDH1A1 2614/4885HPGD 4739/4885

“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.