SCHEMBL1920861

SCHEMBL1920861

CN(C)c1cccc([S])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 3/20 0.56
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
NOTUM Q6P988 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
APP P05067 2/20 0.39
TERT O14746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM1A O60341 1/20 0.37
CA12 O43570 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
SCHEMBL4391221 0.83 ALDH1A1 (0.67) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL21420017 0.77 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL4978623 0.77 ALDH1A1 (0.39) ALDH1A1TSHRRAB9A
SCHEMBL30602821 0.76 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL12879 0.74 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL29381010 0.74 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL44853 0.72 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL15482256 0.72 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL1005951 0.72 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10ALOX15NOTUM
SCHEMBL19698858 0.72 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10NOTUMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP claimed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO claimed
EP-1904060-B1 USE OF PHTHALOCYANINE DERIVATES FOR THE NON-PHOTODYNAMIC TREATMENT OF DISEASES MOLTENI & C (IT) 2011-06-01 EP claimed
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 US disclosed
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP disclosed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO disclosed
EP-1904060-B1 USE OF PHTHALOCYANINE DERIVATES FOR THE NON-PHOTODYNAMIC TREATMENT OF DISEASES MOLTENI & C (IT) 2011-06-01 EP disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
US-7332261-B2 Phthalocyanine compound, process for preparing the same, and optical recording medium containing the same CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP disclosed
EP-1482013-B1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME CIBA SC HOLDING AG (CH) 2007-07-18 EP disclosed
US-20050201265-A1 Phthalocyanine compound, process for producing the same, and optical recording medium containing the same MITSUI CHEMICALS, INC. (JP) 2005-09-15 US disclosed
EP-1482013-A1 PHTHALOCYANINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND OPTICAL RECORDING MEDIUM CONTAINING THE SAME MITSUI CHEMICALS, INC. (JP) 2004-12-01 EP 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 ALDH1A1 3087/4885TSHR 4396/4885HSD17B10 2828/4885
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 ALDH1A1 3849/4885TSHR 4560/4885HSD17B10 649/4885

“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.