SCHEMBL4254032

SCHEMBL4254032

O=C(OCc1ccccc1)c1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.62
MAPT P10636 4/20 0.59
NPC1 O15118 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
XBP1 P17861 1/20 0.59
MRGPRX4 Q96LA9 1/20 0.59
KMT2A Q03164 2/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 2/20 0.55
NR4A2 P43354 2/20 0.55
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
P2RY14 Q15391 1/20 0.53
MAOB P27338 1/20 0.52
PARP10 Q53GL7 1/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL3235219 0.97 ALOX5 (0.61) ALOX5MAPTNPC1TDP1RAB9A
SCHEMBL2706461 0.88 KMT2A (0.66) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL6002245 0.88 KMT2A (0.70) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL1777985 0.88 ALOX5 (0.60) ALOX5MAPTNPC1TDP1RAB9A
SCHEMBL4258805 0.87 MRGPRX4 (0.76) ALOX5MAPTNPC1SMN1; SMN2MRGPRX4
SCHEMBL9561783 0.86 TDP1 (0.52) ALOX5MAPTNPC1TDP1RAB9A
SCHEMBL9343792 0.85 TDP1 (0.58) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL7947263 0.85 TDP1 (0.51) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL25462523 0.84 KDM4E (0.58) MAPTNPC1TDP1RAB9ASMN1; SMN2
SCHEMBL1779167 0.84 ALOX5 (0.59) ALOX5MAPTNPC1RAB9ASMN1; SMN2

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-20090012061-A1 A Method of Treating Cancer MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1791969-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1791969-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2007-06-06 EP disclosed
WO-2006031607-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2006-03-23 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-20090012061-A1 A Method of Treating Cancer KIF5B, MKI67, KIF2C ALOX5 4368/4885MAPT 1211/4885NPC1 1550/4885

“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.