SCHEMBL18969047

SCHEMBL18969047

c1ccc(C2(c3cccc(N(c4cccc5ccccc45)c4cccc5ccccc45)c3)c3cccc4ccc5cccc2c5c34)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.36
CYP1A2 P05177 3/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ERBB2 P04626 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 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
SCHEMBL18969042 0.91 SIGMAR1 (0.32) SIGMAR1
SCHEMBL18969059 0.89 SIGMAR1 (0.35) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL18968954 0.89 SIGMAR1 (0.33) SIGMAR1CYP1A2FYNAHR
SCHEMBL18287512 0.88 MEN1 (0.37) SIGMAR1
SCHEMBL18969029 0.88 MCL1 (0.34) SIGMAR1CYP2C9CYP2C19
SCHEMBL18969011 0.87 CHRNA1 (0.31) SIGMAR1
SCHEMBL18969044 0.86 ALDH1A1 (0.32) CYP1A2ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL18969080 0.86 TDP1 (0.33) ALDH1A1HPGDAHR
SCHEMBL18969026 0.86 SIGMAR1 (0.33) SIGMAR1CYP1A2ALDH1A1THRBHPGD
SCHEMBL18969024 0.84 CHRNA1 (0.31) SIGMAR1

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-10361374-B2 Amine compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed
US-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 US disclosed
US-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 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 (2 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-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOC2, MAOA, AOC3 SIGMAR1 419/4885CYP1A2 62/4885ALDH1A1 78/4885
US-10361374-B2 Amine compound and organic light emitting device including the same AOC2, MAOA, AOC3 SIGMAR1 419/4885CYP1A2 62/4885ALDH1A1 78/4885

“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.