SCHEMBL12246830

SCHEMBL12246830

O=Cc1ccc(C(c2ccccc2)c2ccc(C=O)[nH]2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
CYP2A6 P11509 2/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 4/20 0.33
EPAS1 Q99814 4/20 0.33
TYMP P19971 1/20 0.32
MAPT P10636 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
SRC P12931 1/20 0.30

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
SCHEMBL14245029 0.83 HIF1A (0.32) ALDH1A1HIF1AEPAS1MAPT
SCHEMBL10146239 0.81 MEN1 (0.39) KMT2ACYP2A6ALDH1A1MEN1HIF1A
SCHEMBL12246828 0.71 ALDH1A1 (0.35) KMT2AALDH1A1MAPT
SCHEMBL23996388 0.69 KMT2A (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL1309456 0.68
SCHEMBL16270678 0.67 SLC6A2 (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL24671964 0.67 SLC6A2 (0.39) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL12629680 0.65 KMT2A (0.36) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL11932651 0.65 TP53 (0.38) KMT2AATMALDH1A1SLC6A2SLC6A4
SCHEMBL9883870 0.64 ALDH1A1 (0.59) KMT2ACYP2A6CYP2D6ALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051109-A1 NOVEL COMPOUNDS WITH PHOTOLUMINESCENCE PROPERTIES AND APPLICATIONS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-02-20 US disclosed
WO-2012118444-A9 NOVEL COMPOUNDS WITH PHOTOLUMINESCNCE PROPERTIES AND APPLICATIONS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-10-11 WO disclosed
WO-2012118444-A1 NOVEL COMPOUNDS WITH PHOTOLUMINESCNCE PROPERTIES AND APPLICATIONS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-09-07 WO disclosed
US-8013149-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-09-06 US disclosed
US-8013149-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-09-06 US disclosed
US-20090270638-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-20090270638-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7582751-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-09-01 US disclosed
US-7582751-B2 Methods and intermediates for the synthesis of porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2009-09-01 US disclosed
WO-2007018808-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2007-02-15 WO disclosed
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-20070027312-A1 Methods and intermediates for the synthesis of porphyrins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 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 (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-20070027312-A1 Methods and intermediates for the synthesis of porphyrins PPOX, DHPS, POR KMT2A 1827/4885CYP2A6 295/4885ATM 2477/4885
US-20090270638-A1 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF PORPHYRINS PPOX, DHPS, POR KMT2A 1827/4885CYP2A6 295/4885ATM 2477/4885

“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.