SCHEMBL16787353

SCHEMBL16787353

Clc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2S3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
PDK2 Q15119 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
NOX1 Q9Y5S8 1/20 0.40
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CTRC Q99895 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.32
CNR1 P21554 1/20 0.32
ALOX5 P09917 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
SCHEMBL23372411 0.85 PDK2 (0.49) CYP1A2PDK2BCHEACHENOX1
SCHEMBL21743387 0.83 MEN1 (0.40) PDK2NPC1RAB9AL3MBTL1HPGD
SCHEMBL16787257 0.83 KDM4E (0.32) CYP1A2L3MBTL1KDM4EALDH1A1DRD2
SCHEMBL21743631 0.83 MEN1 (0.40) PDK2NPC1RAB9AL3MBTL1HPGD
SCHEMBL16787310 0.83 DRD2 (0.33) PDK2DRD2
SCHEMBL17482474 0.82 DRD2 (0.40) CYP1A2PDK2BCHEACHENOX1
SCHEMBL17482487 0.82 DRD2 (0.40) CYP1A2PDK2BCHEACHENOX1
SCHEMBL21743604 0.82 CYP19A1 (0.38) PDK2NPC1RAB9AL3MBTL1HPGD
SCHEMBL16787276 0.82 DRD2 (0.33) CYP1A2PDK2L3MBTL1KDM4EALDH1A1
SCHEMBL23697271 0.81 ACHE (0.44) CYP1A2PDK2BCHEACHENOX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 US disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, ODC1, OR51E2 CYP1A2 268/4885PDK2 2209/4885BCHE 3152/4885

“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.