SCHEMBL14904035

SCHEMBL14904035

COc1cc(-c2cc3ccc(CO)c(OC)c3[n+](C)c2)cc(-c2ccc(C(C)(C)C)cc2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ TDO2 P48775 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDE5A O76074 3/20 0.34
▸ PDE4A P27815 3/20 0.34
▸ PDE1A P54750 3/20 0.34
▸ PDE1B Q01064 3/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ PDE4C Q08493 3/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ PDE3B Q13370 3/20 0.34
▸ PDE1C Q14123 3/20 0.34
▸ PDE3A Q14432 3/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CHEK2 O96017 1/20 0.32

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
SCHEMBL14904034 0.91 PDCD1 (0.39) PDCD1CD274SMN1; SMN2PDE5APDE4A
SCHEMBL12074707 0.89 TDO2 (0.43) TDO2TP53MAPTSMN1; SMN2HSP90AA1
SCHEMBL14904029 0.85 PDE4A (0.36) PDCD1CD274TDO2TP53MAPT
SCHEMBL12074701 0.79 TDO2 (0.37) TDO2TP53MAPTSMN1; SMN2PDE5A
SCHEMBL14904069 0.79 FYN (0.43) PDCD1CD274TDO2CHEK2FYN
SCHEMBL12074099 0.78 TDO2 (0.36) TDO2TP53MAPTSMN1; SMN2HSP90AA1
SCHEMBL12075023 0.78 FYN (0.36) TDO2TP53MAPTSMN1; SMN2FYN
SCHEMBL14904030 0.76 PDE4A (0.33) PDCD1CD274TDO2TP53MAPT
SCHEMBL12074864 0.75 MAPT (0.39) TDO2TP53MAPTSMN1; SMN2HSP90AA1
SCHEMBL14904057 0.73 GAK (0.46) TDO2CHEK2FYN

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 PDCD1 4650/4885CD274 4594/4885TDO2 4238/4885

“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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