SCHEMBL23685779

SCHEMBL23685779

Cc1cc(C)c(O)c(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
NR2F2 P24468 1/20 0.44
NNMT P40261 2/20 0.42
HMGB1 P09429 1/20 0.41
CXCL12 P48061 1/20 0.41
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37

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
SCHEMBL6027899 0.89 KDM4E (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL1759400 0.83 SELL (0.54) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL28413744 0.82 ALDH1A1 (0.48) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL29670017 0.82 ALDH1A1 (0.48) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL12316452 0.81 KDM4E (0.54) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL17779218 0.81 KDM4E (0.42) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL1004219 0.80 KDM4E (0.50) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL122472 0.80 HMGB1 (0.62) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL30706280 0.80 HMGB1 (0.62) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL471443 0.80 KDM4E (0.46) KDM4EALDH1A1LMNAGAAMAPT

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-20210230101-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTIONS AND OTHER INFECTIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-29 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-20210230101-A1 COMPOUNDS FOR TREATING DENGUE VIRUS INFECTIONS AND OTHER INFECTIONS EIF2AK2, HAVCR2, MAVS KDM4E 2701/4885ALDH1A1 403/4885LMNA 2339/4885

“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.