SCHEMBL17657013

SCHEMBL17657013

CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccncc4)cc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
MAPK1 P28482 1/20 0.34
PGR P06401 1/20 0.32
MAPT P10636 4/20 0.32
APP P05067 2/20 0.32
SNCA P37840 2/20 0.32
PDK2 Q15119 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
NOTUM Q6P988 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL17656990 0.94 PGR (0.36) ALDH1A1CYP1A2CYP2D6PGRMAPT
SCHEMBL17657011 0.93 PGR (0.35) ALDH1A1PGRMAPTAPPSNCA
SCHEMBL17657022 0.91 EGLN1 (0.36) ALDH1A1PGRAPPPDK2LMNA
SCHEMBL17657150 0.91 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17657204 0.90 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17657012 0.89 PGR (0.37) ALDH1A1CYP1A2CYP2D6PGRNPSR1
SCHEMBL17657064 0.88 EGLN1 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17656975 0.88 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17657001 0.88 PGR (0.34) PGR
SCHEMBL17657169 0.88 PGR (0.33) ALDH1A1PGR

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 ALDH1A1 7/4885CYP1A2 30/4885CYP3A4 37/4885

“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.