SCHEMBL2239100

SCHEMBL2239100

O=C(Nc1cccc(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.74
EPHX2 P34913 1/20 0.67
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
EGFR P00533 1/20 0.65
ERBB4 Q15303 1/20 0.65
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
LMNA P02545 2/20 0.63
USP2 O75604 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
UBE2M P61081 1/20 0.62
DCUN1D1 Q96GG9 1/20 0.62
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 1/20 0.61
HTR1E P28566 1/20 0.61
S1PR3 Q99500 1/20 0.61

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
SCHEMBL25389220 1.00 RXFP1 (0.74) RXFP1EPHX2ALDH1A1KDM4EEGFR
SCHEMBL19638388 0.99 RXFP1 (0.73) RXFP1EPHX2ALDH1A1KDM4EEGFR
SCHEMBL15530059 0.91 RXFP1 (0.71) RXFP1EPHX2ALDH1A1LMNAMAPT
SCHEMBL15530000 0.90 RXFP1 (0.69) RXFP1EPHX2ALDH1A1KDM4EEGFR
SCHEMBL4297476 0.87 RXFP1 (0.66) RXFP1ALDH1A1KDM4EEGFRERBB4
Hydrochloric Acid SCHEMBL31435248 0.86 RXFP1 (0.65) RXFP1ALDH1A1KDM4EEGFRERBB4
SCHEMBL15529956 0.86 RXFP1 (1.00) RXFP1
SCHEMBL15528534 0.86 RXFP1 (1.00) RXFP1
SCHEMBL19745428 0.85 KDM4E (0.62) RXFP1ALDH1A1KDM4EEGFRERBB4
SCHEMBL15530097 0.84 RXFP1 (1.00) RXFP1

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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 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-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 RXFP1 25/4885EPHX2 4462/4885ALDH1A1 507/4885

“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.