SCHEMBL3105040

SCHEMBL3105040

COc1ccc(-c2nc(Cl)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARD Q03181 3/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL11753849 0.95 SMN1; SMN2 (0.50) ALDH1A1KDM4ELMNAPPARDNPC1
SCHEMBL11748634 0.95 SMN1; SMN2 (0.50) ALDH1A1KDM4ELMNAPPARDNPC1
SCHEMBL11755271 0.94 ALDH1A1 (0.55) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11748988 0.94 ALDH1A1 (0.55) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11756222 0.85 RXRA (0.45) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL6208499 0.84 NPSR1 (0.56) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL11749400 0.84 NR4A2 (0.46) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL472847 0.83 NPC1 (0.45) ALDH1A1KDM4ENPSR1NPC1RAB9A
SCHEMBL6539003 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ELMNANPSR1TDP1
SCHEMBL31194858 0.81 MAPK13 (0.54) ALDH1A1KDM4ELMNANPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 ALDH1A1 163/4885KDM4E 1912/4885LMNA 2620/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 ALDH1A1 1908/4885KDM4E 2081/4885LMNA 3156/4885

“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.