SCHEMBL16901705

SCHEMBL16901705

O=C(O)/C=C/CN1CC[C@H](F)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FGFR2 P21802 5/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
MNAT1 P51948 2/20 0.32
CCNK O75909 3/20 0.32
CDK12 Q9NYV4 3/20 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
SCHEMBL19190242 1.00 ALOX15 (0.34) ALOX15GABRR1GABRR2BLMGABRR3
SCHEMBL16901704 1.00 ALOX15 (0.34) ALOX15GABRR1GABRR2BLMGABRR3
Hydrochloric Acid SCHEMBL20981808 0.98 ALOX15 (0.33) ALOX15GABRR1GABRR2BLMGABRR3
SCHEMBL2979052 0.92 ALDH1A1 (0.36) CCNKCDK12
SCHEMBL2979053 0.92 ALDH1A1 (0.36) CCNKCDK12
SCHEMBL2979545 0.89 GABRR1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL2979548 0.89 GABRR1 (0.35) GABRR1GABRR2BLMGABRR3LMNA
SCHEMBL15769610 0.87 TSHR (0.37) ALOX15GABRR1GABRR2BLMGABRR3
SCHEMBL15769608 0.87 TSHR (0.37) ALOX15GABRR1GABRR2BLMGABRR3
SCHEMBL23156772 0.84 FGFR2 (0.34) ALOX15FGFR2CDK7CCNHMNAT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 US disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 ALOX15 3427/4885GABRR1 814/4885GABRR2 1019/4885

“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.