SCHEMBL13640741

SCHEMBL13640741

Cc1ccc(-c2coc3cc(C)ccc3c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.62
NPC1 O15118 9/20 0.62
RAB9A P51151 9/20 0.62
ALDH1A1 P00352 8/20 0.62
MAPT P10636 8/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
HPGD P15428 5/20 0.62
HSD17B10 Q99714 5/20 0.62
MAOA P21397 5/20 0.62
MAOB P27338 5/20 0.62
ALDH2 P05091 5/20 0.62
TP53 P04637 4/20 0.62
CYP3A4 P08684 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CA12 O43570 1/20 0.62
AKR1B10 O60218 1/20 0.62
LMNA P02545 1/20 0.62

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
SCHEMBL12892699 0.91 ALDH2 (0.78) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL16357244 0.90 ALDH1A1 (0.68) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL12386458 0.88 KDM4E (0.54) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL10441792 0.88 MAPT (0.74) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL12386532 0.88 ALDH2 (0.57) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL2349506 0.88 KDM4E (0.83) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL17718164 0.85 ALOX12 (0.55) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL5814089 0.85 XDH (0.78) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL12386455 0.85 ALDH2 (0.57) KDM4ENPC1RAB9AALDH1A1MAPT
SCHEMBL2604722 0.84 ALDH1A1 (0.72) KDM4ENPC1RAB9AALDH1A1MAPT

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-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS NORTHWESTERN UNIVERSITY (US) 2012-11-08 US disclosed
US-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE VALLEE BERT L 2007-11-22 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-20070270332-A1 METHODS AND ASSAYS USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE ADH1A, ADH5, ADH1C KDM4E 4474/4885NPC1 2189/4885RAB9A 3813/4885
US-20120283313-A1 INHIBITION AND TREATMENT OF PROSTATE CANCER METASTASIS MAPK4, MAP4K4, MAP3K4 KDM4E 242/4885NPC1 2582/4885RAB9A 2041/4885

“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.