SCHEMBL12439893

SCHEMBL12439893

CCCCCCCCOc1ccc(-c2ccc(C)c(C)c2)cc1OCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
ESR1 P03372 2/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
SMPD1 P17405 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL1776071 0.90 PTPN11 (0.55) PTPN11S1PR3PTPN1PTPN6ESR1
SCHEMBL28319408 0.90 PTPN11 (0.55) PTPN11S1PR3PTPN1PTPN6ESR1
SCHEMBL13957128 0.90 PTPN11 (0.55) PTPN11S1PR3PTPN1PTPN6ESR1
SCHEMBL2856448 0.90 PTPN11 (0.55) PTPN11S1PR3PTPN1PTPN6ESR1
SCHEMBL14983291 0.88 KDM4E (0.43) PTPN11S1PR1S1PR3PTPN1PTPN6
SCHEMBL13926321 0.86 PTPN11 (0.49) PTPN11PTPN1PTPN6ESR1THRA
SCHEMBL12730575 0.85 S1PR1 (0.44) PTPN11S1PR1S1PR3PTPN1PTPN6
SCHEMBL22863054 0.83 PTPN11 (0.44) PTPN11PTPN1PTPN6ESR1THRA
SCHEMBL17465202 0.82 S1PR1 (0.45) PTPN11S1PR1S1PR3PTPN1PTPN6
SCHEMBL17426198 0.82 ESR1 (0.38) PTPN11S1PR1S1PR3PTPN1PTPN6

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-9419224-B2 Fluoro group-containing compound, fluoro group-containing polymer, organic light emitting device including the polymer, and method of manufacturing the device SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-16 US disclosed
US-9087993-B2 Cross-linkable polymer, cross-linked material of the cross-linkable polymer, organic light emitting device comprising the cross-linked material and method of preparing the organic light emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2015-07-21 US disclosed
US-20110175069-A1 CROSS-LINKABLE POLYMER, CROSS-LINKED MATERIAL OF THE CROSS-LINKABLE POLYMER, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE CROSS-LINKED MATERIAL AND METHOD OF PREPARING THE ORGANIC LIGHT EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD (KR) 2011-07-21 US disclosed
US-20110121338-A1 FLUORO GROUP-CONTAINING COMPOUND, FLUORO GROUP-CONTAINING POLYMER, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE POLYMER, AND METHOD OF MANUFACTURING THE DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-26 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-20110121338-A1 FLUORO GROUP-CONTAINING COMPOUND, FLUORO GROUP-CONTAINING POLYMER, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE POLYMER, AND METHOD OF MANUFACTURING THE DEVICE PFAS, AFF1, AFF4 PTPN11 4291/4885S1PR1 4453/4885S1PR3 4021/4885

“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.