SCHEMBL17657221

SCHEMBL17657221

CC1(C)c2ccccc2N(c2ccccc2)c2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.36
DRD3 P35462 6/20 0.36
DRD4 P21917 5/20 0.36
CHRM1 P11229 4/20 0.36
PGR P06401 2/20 0.35
DRD1 P21728 2/20 0.34
DRD5 P21918 2/20 0.34
HTR1D P28221 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL16357229 0.90 HSD11B1 (0.34) DRD2DRD3DRD4CHRM1PGR
SCHEMBL17657225 0.87 DRD2 (0.33) DRD2DRD3DRD4CHRM1DRD1
SCHEMBL17657218 0.80 ALDH1A1 (0.45) PGRALOX15KDM4EALDH1A1
SCHEMBL15019768 0.79 PGR (0.35) PGRALOX15KDM4EALDH1A1
SCHEMBL18624648 0.76 DRD2 (0.33) DRD2DRD3DRD4CHRM1DRD1
SCHEMBL12723264 0.75 PGR (0.44) PGRKDM4EALDH1A1
SCHEMBL31913 0.75 PGR (0.49) PGRKDM4EALDH1A1
SCHEMBL29388768 0.75 PGR (0.49) PGRKDM4EALDH1A1
SCHEMBL11978700 0.74 PGR (0.41) PGRKDM4EALDH1A1
SCHEMBL12109311 0.74 PGR (0.41) PGRKDM4EALDH1A1

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-9893295-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-13 US disclosed
US-20160099421-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160099421-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 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-20160099421-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1B1, CRY2 DRD2 956/4885DRD3 1043/4885DRD4 1147/4885

“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.