SCHEMBL11920182

SCHEMBL11920182

CCc1ccc(C(=O)c2ccc(C(c3ccc(C(C)(C)C)cc3)c3ccc(C(c4ccc(C)cc4)c4ccc(C(C5=NC(C)C=C5)c5ccccc5)[nH]4)[nH]3)[nH]2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.33
GCGR P47871 2/20 0.32
HSD17B2 P37059 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SRD5A2 P31213 1/20 0.31
EPHX1 P07099 5/20 0.31
KDM4A O75164 1/20 0.30
USP2 O75604 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
SIRT5 Q9NXA8 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
SCHEMBL8986320 0.86 MAPT (0.36) BCHEGCGRHSD17B2NPC1MAPT
SCHEMBL11920184 0.86 AKR1C3 (0.36) NPC1MAPTRAB9ASRD5A2
SCHEMBL11921695 0.85 MAPT (0.34) BCHEGCGRHSD17B2NPC1MAPT
SCHEMBL8986337 0.85 MAPT (0.34) BCHEGCGRHSD17B2NPC1MAPT
SCHEMBL8986351 0.83 BCHE (0.35) BCHEGCGRNPC1MAPTRAB9A
SCHEMBL11920183 0.77 GCGR (0.34) GCGRNPC1RAB9ASRD5A2
SCHEMBL8986294 0.76 GCGR (0.36) BCHEGCGRNPC1RAB9ASRD5A2
SCHEMBL14282584 0.74 AKR1C3 (0.44) NPC1MAPTRAB9ASRD5A2
SCHEMBL13328292 0.71 ALDH1A1 (0.47) NPC1RAB9ASRD5A2USP2
SCHEMBL8986301 0.68 AKR1C3 (0.38) NPC1MAPTRAB9ASRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 BCHE 3168/4885GCGR 4832/4885HSD17B2 1258/4885

“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.