SCHEMBL6501641

SCHEMBL6501641

CCCCCC(=O)Nc1cnc2cccc(C)c2c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GLA P06280 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
DEGS1 O15121 1/20 0.46
EP300 Q09472 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL25689106 0.87 RAB9A (0.47) ALDH1A1GLAMAPK1KDM4EGAA
SCHEMBL6499469 0.87 GLA (0.48) ALDH1A1GLAMAPK1KDM4EGAA
SCHEMBL25688716 0.83 RAB9A (0.47) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL6500635 0.81 EP300 (0.57) ALDH1A1GLAMAPK1KDM4EGAA
SCHEMBL6498462 0.77 GAA (0.51) ALDH1A1GAAHPGDDEGS1L3MBTL1
SCHEMBL19004115 0.77 CETP (0.59) GAATSHREP300HDAC3HDAC4
SCHEMBL6499707 0.76 GAA (0.52) ALDH1A1GLAMAPK1KDM4EGAA
SCHEMBL2706300 0.76 LMNA (0.47) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL11446154 0.73 HDAC3 (0.77) ALDH1A1HPGDTSHREP300HDAC3
SCHEMBL31580824 0.73 MAPK1 (0.51) ALDH1A1GLAMAPK1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908932-B2 Cancer therapy ICONIX PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20030149074-A1 Modulators of phosphoinositide 3-kinase ENTELOS HOLDING CORP. 2003-08-07 US disclosed
WO-2003035618-A2 MODULATORS OF PHOSPHOINOSITIDE 3-KINASE ICONIX PHARMACEUTICALS, INC. (US) 2003-05-01 WO 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-20030149074-A1 Modulators of phosphoinositide 3-kinase PIK3R1, PIK3R3, PIK3R4 ALDH1A1 4006/4885GLA 3551/4885MAPK1 109/4885

“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.