SCHEMBL20061150

SCHEMBL20061150

COc1ccc2c(c1)CC/C(=C\O)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
BCL2 P10415 1/20 0.41
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
PARP1 P09874 1/20 0.39
NOTUM Q6P988 1/20 0.38
AR P10275 2/20 0.38
CHRNA7 P36544 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA2A P08913 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
SCHEMBL227927 0.76 AR (0.46) KDM1ABCL2DRD1DRD5DRD2
SCHEMBL21226516 0.76 KDM1A (0.43) KDM1ABCL2DRD1DRD5DRD2
SCHEMBL25457709 0.74 KDM1A (0.42) KDM1ABCL2DRD1DRD5DRD2
SCHEMBL23569538 0.74 KDM1A (0.42) KDM1ABCL2DRD1DRD5DRD2
SCHEMBL1495858 0.70 KDM1A (0.53) KDM1ABCL2DRD1DRD5DRD2
SCHEMBL2607471 0.70 DRD1 (0.62) BCL2DRD1DRD5DRD2DRD3
SCHEMBL31650219 0.69 KDM1A (0.58) KDM1ADRD1DRD5DRD2DRD3
SCHEMBL5749365 0.69 KDM1A (0.58) KDM1ADRD1DRD5DRD2DRD3
SCHEMBL29051722 0.69 PDE3B (0.49) KDM1ADRD2DRD3PARP1AR
Hydrochloric Acid SCHEMBL23421993 0.68 KDM1A (0.50) KDM1ABCL2DRD1DRD5DRD2

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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 US disclosed
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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 (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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 KDM1A 2495/4885BCL2 2297/4885DRD1 4526/4885

“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.