SCHEMBL14903957

SCHEMBL14903957

C[n+]1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc2cc(CO)c(CO)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ PTGS1 P23219 1/20 0.36
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ BAD Q92934 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
SCHEMBL14903984 0.84 FYN (0.38) PDCD1CD274KMT2AHTTMEN1
SCHEMBL14904333 0.83 PDCD1 (0.51) RAB9ARCE1PTGS1PDCD1CD274
SCHEMBL14904027 0.83 PDCD1 (0.39) PDCD1CD274KMT2AHTTMEN1
SCHEMBL14903979 0.76 MTNR1A (0.43) PTGS1MTNR1AMTNR1BPDE4APDE4B
SCHEMBL14904005 0.75 PDCD1 (0.39) PDCD1CD274ALDH1A1PDE4APDE4B
SCHEMBL14903956 0.72 SQOR (0.33) RAB9ARCE1PTGS1PDCD1CD274
SCHEMBL127674 0.68 HTT (0.41) RAB9ARCE1PTGS1PDCD1CD274
SCHEMBL14904037 0.67 PTGS2 (0.35) RAB9ARCE1PTGS1KMT2AHTT
SCHEMBL14903958 0.67 PDGFRB (0.51) RAB9APARP1KDM4ESMN1; SMN2EGFR
SCHEMBL12075024 0.66 MEN1 (0.39) RAB9AKMT2AACHEHTTMEN1

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 2 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-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 RAB9A 419/4885RCE1 649/4885PTGS1 3243/4885

“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.

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