SCHEMBL13529232

SCHEMBL13529232

CCC/C=C/c1cc(C)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CRHR1 P34998 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ FGFR1 P11362 2/20 0.32
▸ FGFR2 P21802 2/20 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
SCHEMBL27268189 0.77 FGFR1 (0.40) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL2660769 0.76 MEN1 (0.58) KMT2AMEN1TLR8
SCHEMBL2660767 0.76 MEN1 (0.58) KMT2AMEN1TLR8
SCHEMBL30379649 0.76 MEN1 (0.58) KMT2AMEN1TLR8
SCHEMBL23917887 0.75 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL1707627 0.75 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL15948446 0.75 UHRF1 (0.37) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL12849272 0.74 UHRF1 (0.39) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL25140629 0.72 UHRF1 (0.38) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL2956488 0.71 SMN1; SMN2 (0.42) UHRF1CCR1CCR5CCR8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 — — 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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB UHRF1 3861/4885CCR1 4717/4885CCR5 3658/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN UHRF1 3834/4885CCR1 3701/4885CCR5 2632/4885

“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.

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