SCHEMBL8986337

SCHEMBL8986337

CCc1ccc(C(=O)c2ccc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(c4ccc(C)cc4)c4ccc(C(c5ccccc5)c5ccc(Br)[nH]5)[nH]4)[nH]3)[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
BCHE P06276 3/20 0.34
GCGR P47871 3/20 0.34
EPHX1 P07099 5/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SRD5A2 P31213 1/20 0.32
THRB P10828 1/20 0.32
ESRRG P62508 1/20 0.31

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
SCHEMBL8986320 0.91 MAPT (0.36) MAPTRAB9ANPC1BCHEGCGR
SCHEMBL11921695 0.89 MAPT (0.34) MAPTRAB9ANPC1BCHEGCGR
SCHEMBL8986351 0.87 BCHE (0.35) MAPTRAB9ANPC1BCHEGCGR
SCHEMBL11920182 0.85 BCHE (0.33) MAPTRAB9ANPC1BCHEGCGR
SCHEMBL8986301 0.84 AKR1C3 (0.38) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL8986294 0.80 GCGR (0.36) RAB9ANPC1BCHEGCGRALDH1A1
SCHEMBL14282584 0.78 AKR1C3 (0.44) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL13328292 0.74 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1NPSR1LMNA
SCHEMBL11920183 0.73 GCGR (0.34) RAB9ANPC1GCGRALDH1A1LMNA
SCHEMBL11922326 0.72 AKR1C3 (0.38) MAPTRAB9ANPC1ALDH1A1NPSR1

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-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-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 MAPT 3490/4885RAB9A 2806/4885NPC1 181/4885
US-20090082576-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MAPT 3490/4885RAB9A 2806/4885NPC1 181/4885
US-20110306774-A1 SYNTHETIC ROUTE TO ABCD-PORPHYRINS ABCB7, ALAD, SLC39A14 MAPT 3490/4885RAB9A 2806/4885NPC1 181/4885

“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.