SCHEMBL9989131

SCHEMBL9989131

CC(C)(C)c1ccc(-c2ccc(C=O)c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12074872 0.90 GPR84 (0.38) TNKSTNKS2GPR84LMNAALDH1A1
SCHEMBL23148503 0.81 KDM4E (0.42) TNKSTNKS2GPR84LMNAALDH1A1
SCHEMBL3371015 0.81 XDH (0.47) TNKSTNKS2GPR84LMNAALDH1A1
SCHEMBL4864427 0.80 MEN1 (0.44) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL12074131 0.78 MAPT (0.50) TNKSTNKS2GPR84LMNAALDH1A1
SCHEMBL25711967 0.75 NPC1 (0.50) TNKSTNKS2GPR84LMNAALDH1A1
SCHEMBL5153220 0.75 PREP (0.42) MEN1KMT2A
SCHEMBL28560861 0.75 APP (0.45) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3371017 0.75 NPC1 (0.47) GPR84LMNAALDH1A1MEN1KMT2A
SCHEMBL9989501 0.74 GPR84 (0.43) GPR84LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO disclosed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 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 (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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 TNKS 3327/4885TNKS2 3750/4885GPR84 2618/4885

“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.