SCHEMBL18397692

SCHEMBL18397692

COC(=O)c1ccc(Br)c2c1CCC2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HTR5A P47898 1/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SLC6A3 Q01959 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGER4 P35408 1/20 0.34

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
SCHEMBL18397703 0.77 CFTR (0.33) DRD2DRD4DRD3HTR5ACYP1A2
SCHEMBL38658847 0.76 CA1 (0.42) CYP1A2KDM4EALDH1A1CA12CA1
SCHEMBL18397725 0.73 SLC6A3 (0.40) CYP1A2KDM4EALDH1A1CA12CA1
SCHEMBL11630296 0.73 DRD2 (0.57) DRD2DRD4DRD3HTR5AKDM4E
SCHEMBL17873248 0.72 CA1 (0.39) CYP1A2KDM4EALDH1A1CA12CA1
SCHEMBL22084664 0.72 KDM4E (0.37) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10164852 0.72 PTGER4 (0.43) DRD2DRD4DRD3HTR5AKDM4E
SCHEMBL22032149 0.72 KDM4E (0.37) KDM4EALDH1A1CA12CA1CA2
SCHEMBL22032138 0.70 KDM4E (0.39) KDM4EALDH1A1CA12CA1CA2
SCHEMBL18397712 0.70 KDM4E (0.50) KDM4EALDH1A1CA12CA1CA2

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-20180215740-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES BASF SE (DE) 2018-08-02 US disclosed
EP-3325439-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES BASF SE (DE) 2018-05-30 EP disclosed
WO-2017012938-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES BASF SE (DE) 2017-01-26 WO 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 (1 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-20180215740-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES CYP4F2, INTS6, CYP11B2 DRD2 2858/4885DRD4 2590/4885DRD3 3009/4885

“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.