SCHEMBL20636626

SCHEMBL20636626

COC(=O)c1cc(Br)c(C)c(C)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 2/20 0.44
IMPDH2 P12268 1/20 0.43
HSD17B10 Q99714 2/20 0.42
SOS1 Q07889 1/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOTUM Q6P988 1/20 0.38
TPMT P51580 1/20 0.38
LMNA P02545 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
SCHEMBL29023133 0.85 KDM4E (0.51) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL20380165 0.84 HSD17B10 (0.61) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL18394176 0.82 HSD17B10 (0.46) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL21177391 0.82 TSHR (0.47) HPGDALDH1A1NPSR1IMPDH2HSD17B10
SCHEMBL3709174 0.81 HSD17B10 (0.49) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL17201278 0.80 SOS1 (0.42) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL12869693 0.80 SMN1; SMN2 (0.49) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL6535286 0.79 KDM4E (0.41) KDM4EHPGDALDH1A1NPSR1POLB
SCHEMBL20636657 0.79 SOS1 (0.51) KDM4EHPGDALDH1A1NPSR1SOS1
SCHEMBL17201206 0.79 KDM4E (0.47) KDM4EHPGDALDH1A1POLBHSD17B10

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 540/4885HPGD 4739/4885ALDH1A1 2614/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 KDM4E 540/4885HPGD 4739/4885ALDH1A1 2614/4885

“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.