SCHEMBL17657012

SCHEMBL17657012

CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccccc3N(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
CES2 O00748 1/20 0.30
BCHE P06276 1/20 0.30
GAA P10253 1/20 0.30
CES1 P23141 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL17657011 0.96 PGR (0.35) PGRALDH1A1
SCHEMBL17656990 0.95 PGR (0.36) PGRALDH1A1CYP1A2CYP2D6KMT2A
SCHEMBL17657169 0.93 PGR (0.33) PGRALDH1A1
SCHEMBL17656992 0.92 PGR (0.35) PGR
SCHEMBL17656991 0.91 KDM4E (0.33) PGRKMT2A
SCHEMBL17657020 0.90 PGR (0.36) PGRALDH1A1
SCHEMBL17657001 0.89 PGR (0.34) PGR
SCHEMBL17657013 0.89 ALDH1A1 (0.35) PGRALDH1A1CYP1A2CYP2D6KMT2A
SCHEMBL17657151 0.88
SCHEMBL17657128 0.88 PGR (0.30) PGR

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
US-9893295-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-13 US disclosed
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 PGR 1754/4885ALDH1A1 7/4885CYP1A2 30/4885

“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.