SCHEMBL194593

SCHEMBL194593

Bc1c(C=O)ccc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ERN1 O75460 3/20 0.45
PRKDC P78527 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
SRC P12931 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A1 P04798 1/20 0.41

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
SCHEMBL269268 0.82 ALDH1A1 (0.56) ALDH1A1ERN1TSHRKDM4ETDP1
SCHEMBL31474876 0.82 ALDH1A1 (0.56) ALDH1A1ERN1TSHRKDM4ETDP1
SCHEMBL736351 0.81 POLB (0.50) ALDH1A1ERN1TSHRKDM4ETDP1
SCHEMBL29521638 0.80 ALDH1A1 (0.50) ALDH1A1ERN1PRKDCTSHRKDM4E
SCHEMBL195007 0.79 ERN1 (0.58) ALDH1A1ERN1PRKDCTLR2TLR1
SCHEMBL10541475 0.78 ALDH1A1 (0.48) ALDH1A1ERN1PRKDCTSHRKDM4E
SCHEMBL30681224 0.78 ALDH1A1 (0.48) ALDH1A1ERN1PRKDCTSHRKDM4E
SCHEMBL12672533 0.77 ALDH1A1 (0.53) ALDH1A1ERN1PRKDCTSHRKDM4E
SCHEMBL148284 0.77 PRKDC (0.48) ALDH1A1ERN1PRKDCTSHRKDM4E
SCHEMBL1620491 0.77 ALDH1A1 (0.47) ALDH1A1ERN1TSHRKDM4ETDP1

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-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 2930/4885ERN1 800/4885PRKDC 2292/4885

“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.