SCHEMBL2552925

SCHEMBL2552925

CCCCCCCCCCSc1cc(C#N)c(C#N)cc1SCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
AR P10275 4/20 0.49
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 2/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 3/20 0.39
AURKA O14965 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL2557627 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL8565067 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL2550694 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL8569987 1.00 TSHR (0.50) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL8570597 0.92 AR (0.55) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL11566809 0.82 PTGS2 (0.46) ALDH1A1LMNATHRBMAPTPTGS2
SCHEMBL11562856 0.82 PTGS2 (0.46) ALDH1A1LMNATHRBMAPTPTGS2
SCHEMBL11566892 0.82 PTGS2 (0.46) ALDH1A1LMNATHRBMAPTPTGS2
SCHEMBL5983793 0.81 PTGS2 (0.49) TSHRHSD17B10L3MBTL1KDM4EMEN1
SCHEMBL2980868 0.81 PTGS2 (0.49) TSHRHSD17B10L3MBTL1KDM4EMEN1

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-9505770-B2 Organic photovoltaic devices comprising solution-processed substituted metal-phthalocyanines and exhibiting near-IR photo-sensitivity THE ARIZONA BOARD OF REGENTS OF BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2016-11-29 US disclosed
US-20130008503-A1 ORGANIC PHOTOVOLTAIC DEVICES COMPRISING SOLUTION-PROCESSED SUBSTITUTED METAL-PHTHALOCYANINES AND EXHIBITING NEAR-IR PHOTO-SENSITIVITY NATIONAL SCIENCE FOUNDATION 2013-01-10 US disclosed
WO-2011127475-A1 ORGANIC PHOTOVOLTAIC DEVICES COMPRISING SOLUTION- PROCESSED SUBSTITUTED METAL-PHTHALOCYANINES AND EXHIBITING NEAR-IR PHOTO-SENSITIVITY THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2011-10-13 WO 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-20130008503-A1 ORGANIC PHOTOVOLTAIC DEVICES COMPRISING SOLUTION-PROCESSED SUBSTITUTED METAL-PHTHALOCYANINES AND EXHIBITING NEAR-IR PHOTO-SENSITIVITY ZKSCAN2, ALAD, OCIAD2 TSHR 4615/4885HSD17B10 1395/4885L3MBTL1 1680/4885

“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.