SCHEMBL2536766

SCHEMBL2536766

[CH2]c1ccccc1OCCl

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5168338 0.82 KDM4E (0.40) KDM4EJAK2LMNAGAAMAPT
SCHEMBL10536881 0.82 KDM4E (0.40) KDM4EJAK2LMNAGAAMAPT
SCHEMBL7690167 0.82 KDM4E (0.46) KDM4EJAK2LMNAGAAMAPT
SCHEMBL9798227 0.80 KDM4E (0.36) KDM4EJAK2LMNAGAAMAPT
SCHEMBL3472110 0.79 NPC1 (0.42) KDM4EJAK2LMNAGAAMAPT
SCHEMBL525307 0.78 KDM4E (0.34) KDM4EJAK2LMNAGAAMAPT
SCHEMBL7474927 0.76 KDM4E (0.43) KDM4EJAK2LMNAGAAMAPT
SCHEMBL9217603 0.76 KDM4E (0.33) KDM4EJAK2LMNAGAAMAPT
SCHEMBL790910 0.76 CYP1A2 (0.37) KDM4EJAK2LMNAGAAMAPT
SCHEMBL93705 0.76 ALDH1A1 (0.56) KDM4EGAAMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed
EP-0929535-A4 PROCESS AND NOVEL INTERMEDIATES LILLY CO ELI (US) 2001-05-23 EP disclosed
EP-0792875-B1 Cryptophycin derivatives and their use as anti-microtubule agents LILLY CO ELI (US) 2001-05-09 EP disclosed
EP-0929535-A1 PROCESS AND NOVEL INTERMEDIATES ELI LILLY AND COMPANY (US) 1999-07-21 EP disclosed
WO-1998009955-A1 PROCESS AND NOVEL INTERMEDIATES ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0792875-A1 Cryptophycin derivatives and their use as anti-microtubule agents ELI LILLY AND COMPANY (US) 1997-09-03 EP disclosed
EP-0735819-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 1997-03-19 EP disclosed
EP-0735819-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-10-09 EP disclosed
WO-1995017093-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1995-06-29 WO disclosed
US-4678792-A ANTITHROMBIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-07-07 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 KDM4E 1047/4885JAK2 394/4885LMNA 3909/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 KDM4E 1384/4885JAK2 581/4885LMNA 3913/4885

“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.