SCHEMBL21215554

SCHEMBL21215554

Cc1cc(=O)oc2c(F)c(SC(C)(C)C)c(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
MAOA P21397 3/20 0.40
CYP3A4 P08684 2/20 0.40
MAPK1 P28482 2/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
ERN1 O75460 1/20 0.38
MCL1 Q07820 5/20 0.38
GAA P10253 3/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MGAM O43451 1/20 0.38
TP53 P04637 1/20 0.38
SI P14410 1/20 0.38
ALOX15 P16050 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KMT2A Q03164 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
SCHEMBL26431976 0.90 KDM4E (0.41) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL21215556 0.86 MCL1 (0.44) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL21215553 0.86 KDM4E (0.38) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL26431650 0.82 MAPK1 (0.35) KDM4EALDH1A1CYP1A2MAPK1GAA
SCHEMBL21215552 0.78 KDM4E (0.47) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL21215710 0.77 ESR1 (0.32) KDM4EALDH1A1MAPK1GAALMNA
SCHEMBL21215541 0.75 MAOA (0.40) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL29391372 0.75 MCL1 (0.55) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL565580 0.75 MCL1 (0.55) KDM4EALDH1A1CYP1A2MAOACYP3A4
SCHEMBL21215555 0.75 POLB (0.42) KDM4EALDH1A1CYP1A2MAOACYP3A4

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-11639348-B2 Compositions and methods for neuraminidase detection and quantification THE UNIVERSITY OF BRITISH COLUMBIA 2023-05-02 US disclosed
US-20190233404-A1 COMPOSITIONS AND METHODS FOR NEURAMINIDASE DETECTION AND QUANTITIFICATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2019-08-01 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 (2 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-20190233404-A1 COMPOSITIONS AND METHODS FOR NEURAMINIDASE DETECTION AND QUANTITIFICATION NEU1, NEU4, NEU2 KDM4E 4284/4885ALDH1A1 583/4885CYP1A2 863/4885
US-11639348-B2 Compositions and methods for neuraminidase detection and quantification NEU1, NEU3, NEU2 KDM4E 4085/4885ALDH1A1 644/4885CYP1A2 919/4885

“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.