SCHEMBL8986301

SCHEMBL8986301

Cc1ccc(C(=O)c2ccc(C(c3ccccc3)c3ccc(Br)[nH]3)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 4/20 0.37
SRD5A2 P31213 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TP53 P04637 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 2/20 0.33
SLC6A9 P48067 2/20 0.33

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
SCHEMBL14282584 0.92 AKR1C3 (0.44) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986306 0.87 AKR1C3 (0.40) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL13328292 0.85 ALDH1A1 (0.47) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL13638717 0.85 AKR1C3 (0.38) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL11922326 0.85 AKR1C3 (0.38) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986337 0.84 MAPT (0.34) LMNAALDH1A1SRD5A2MEN1KMT2A
SCHEMBL8986300 0.84 AKR1C3 (0.38) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986302 0.80 MEN1 (0.36) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL8986303 0.79 LMNA (0.37) AKR1C3LMNAALDH1A1SRD5A2CES2
SCHEMBL11920184 0.79 AKR1C3 (0.36) AKR1C3LMNAALDH1A1SRD5A2CES2

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 AKR1C3 1386/4885LMNA 4635/4885ALDH1A1 1829/4885
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 AKR1C3 1386/4885LMNA 4635/4885ALDH1A1 1829/4885
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 AKR1C3 1386/4885LMNA 4635/4885ALDH1A1 1829/4885

“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.