SCHEMBL14904333

SCHEMBL14904333

Cc1c(-c2ccccc2)cccc1-c1cc2cc(CO)c(CO)cc2[n+](C)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 16/20 0.51
▸ CD274 Q9NZQ7 16/20 0.51
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ PTGS1 P23219 1/20 0.36
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL14903957 0.83 RAB9A (0.38) PDCD1CD274RAB9ARCE1PTGS1
SCHEMBL14903962 0.77 CD274 (0.46) PDCD1CD274
SCHEMBL14903979 0.77 MTNR1A (0.43) CYP1A2CYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL14904027 0.73 PDCD1 (0.39) PDCD1CD274
SCHEMBL14903984 0.73 FYN (0.38) PDCD1CD274
SCHEMBL14903976 0.72 PDCD1 (0.53) PDCD1CD274CYP1A2CYP3A4CYP2C9
SCHEMBL358303 0.69 CD274 (1.00) PDCD1CD274PTGS1EPHX1
SCHEMBL29558512 0.69 CD274 (1.00) PDCD1CD274PTGS1EPHX1
SCHEMBL14926982 0.69 CD274 (0.45) PDCD1CD274
SCHEMBL11933621 0.68 CA12 (0.44) CYP2C9CYP2C19RAB9ARCE1

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-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 4594/4885CYP1A2 3899/4885

“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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