SCHEMBL8986302

SCHEMBL8986302

CCSc1ccc(C(c2ccccc2)c2ccc(C(=O)c3ccc(C)cc3)[nH]2)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
AKR1C3 P42330 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A9 P48067 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
SRD5A2 P31213 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HPGD P15428 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
SCHEMBL8986351 0.87 BCHE (0.35) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL14282584 0.87 AKR1C3 (0.44) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL8986303 0.83 LMNA (0.37) MEN1KMT2AAKR1C3CNR1CNR2
SCHEMBL8986306 0.82 AKR1C3 (0.40) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL13328292 0.80 ALDH1A1 (0.47) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL11922326 0.80 AKR1C3 (0.38) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL8986301 0.80 AKR1C3 (0.38) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL13638717 0.80 AKR1C3 (0.38) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL8986300 0.79 AKR1C3 (0.38) MEN1KMT2AAKR1C3LMNAHTT
SCHEMBL13638716 0.77 MAPT (0.32) MEN1KMT2ALMNAPOLBL3MBTL1

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-8304561-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-11-06 US disclosed
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 US disclosed
US-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-16 US disclosed
US-8188298-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-8188298-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-15 US disclosed
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-15 US disclosed
US-7994312-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-08-09 US disclosed
US-7994312-B2 Synthetic route to ABCD-porphyrins NORTH CAROLINA STATE UNIVERSITY (US) 2011-08-09 US disclosed
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-26 US disclosed
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2009-03-26 US disclosed
WO-2008100461-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS NORTH CAROLINA STATE UNIVERSITY (US) 2008-08-21 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 (3 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-20120209009-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MEN1 3866/4885KMT2A 4227/4885AKR1C3 1386/4885
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MEN1 3866/4885KMT2A 4227/4885AKR1C3 1386/4885
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MEN1 3866/4885KMT2A 4227/4885AKR1C3 1386/4885

“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.