SCHEMBL17035151

SCHEMBL17035151

Nc1cc(Cl)ccc1-c1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 3/20 0.43
CYP3A4 P08684 3/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
MAP4K4 O95819 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL358933 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL21933896 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
Methyl Alcohol SCHEMBL28859435 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
Toluene SCHEMBL28789748 0.80 CYP3A4 (0.47) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL17035134 0.80 SCN9A (0.46) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL30839712 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL27185985 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL30839752 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL17035142 0.78 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRCYP3A4ALOX15
SCHEMBL21214803 0.78 CYP1A2 (0.67) ALDH1A1SMN1; SMN2TSHRCYP3A4CYP1A2

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-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 ALDH1A1 753/4885SMN1; SMN2 4525/4885TSHR 4380/4885

“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.