SCHEMBL21735192

SCHEMBL21735192

COc1ccc2cc(-c3ccc(Br)cc3OC)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.71
F2RL3 Q96RI0 1/20 0.46
APP P05067 4/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA3 P07451 1/20 0.44
AKR1B1 P15121 1/20 0.44
HPGD P15428 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL21735257 0.87 PTPN1 (0.56) PTPN1F2RL3APPMAOBKDM4E
SCHEMBL21735528 0.83 PTPN1 (0.53) PTPN1F2RL3APPMAOBKDM4E
SCHEMBL7947768 0.81 PTPN1 (0.68) PTPN1APPKDM4ECA12ALDH1A1
SCHEMBL20473173 0.81 MAOB (0.58) PTPN1F2RL3APPTP53NFKB1
SCHEMBL3688071 0.78 PTPN1 (0.64) PTPN1TP53SMN1; SMN2MAOBKDM4E
SCHEMBL23395580 0.77 PTPN1 (0.62) PTPN1F2RL3APPKDM4ECA12
SCHEMBL9776941 0.77 PTPN1 (0.62) PTPN1F2RL3APPMAOBKDM4E
SCHEMBL21735534 0.76 PTPN1 (0.61) PTPN1F2RL3APP
SCHEMBL21735204 0.75 PTPN1 (0.46) PTPN1MAOBALDH1A1CA9ESR1
SCHEMBL23395557 0.75 PTPN1 (0.52) PTPN1F2RL3APPTP53NFKB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 PTPN1 4838/4885F2RL3 2906/4885APP 450/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 PTPN1 4838/4885F2RL3 2906/4885APP 450/4885

“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.