SCHEMBL6299558

SCHEMBL6299558

CC(O)(c1ncc[nH]1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
KMT2A Q03164 2/20 0.41
ADRA1A P35348 2/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1B P35368 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP3A4 P08684 2/20 0.35
CYP3A5 P20815 1/20 0.35
F2RL1 P55085 2/20 0.34
KCNN4 O15554 3/20 0.33
KCNA3 P22001 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL706070 0.88 CYP19A1 (0.48) CYP19A1KMT2AADRA1AADRA2AADRA2C
SCHEMBL698787 0.87 CYP19A1 (0.43) CYP19A1KMT2AADRA1AADRA2AADRA2C
SCHEMBL697775 0.84 TAAR1 (0.44) CYP19A1KMT2ATAAR1CYP3A4MEN1
SCHEMBL698375 0.83 CYP19A1 (0.40) CYP19A1KMT2AADRA1AADRA2AADRA2C
SCHEMBL27733481 0.82 TAAR1 (0.43) CYP19A1KMT2AADRA1AADRA2AADRA2C
SCHEMBL7914818 0.82 CYP19A1 (0.51) CYP19A1KMT2ATAAR1CYP3A4MEN1
SCHEMBL697512 0.82 CYP19A1 (0.51) CYP19A1KMT2ATAAR1CYP3A4MEN1
SCHEMBL696482 0.82 CYP19A1 (0.44) CYP19A1KMT2AADRA1AADRA2AADRA2C
SCHEMBL697816 0.82 CYP19A1 (0.51) CYP19A1KMT2ATAAR1CYP3A4MEN1
SCHEMBL1573181 0.81 CYP19A1 (0.40) CYP19A1TAAR1OPRK1KCNH2F2RL1

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-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP19A1 962/4885KMT2A 3889/4885ADRA1A 1431/4885

“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.