SCHEMBL2890993

SCHEMBL2890993

COc1c[c]c(OCC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
CYP2C9 P11712 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SLC6A4 P31645 1/20 0.34
XBP1 P17861 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL15474500 0.89 MAPT (0.39) HPGDMAPTCYP2C9POLBKDM4E
SCHEMBL2893194 0.79 NQO1 (0.44) MAPTKDM4EALDH1A1TSHRCA12
SCHEMBL9475222 0.78 ALDH1A1 (0.36) MAPTCYP2C9POLBALDH1A1TSHR
SCHEMBL27802214 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL21268236 0.76 CA12 (0.36) HPGDMAPTKDM4EALDH1A1CA12
SCHEMBL358613 0.76 KDM1A (0.38) ALDH1A1MAOB
SCHEMBL17046419 0.76 TUBB4A (0.40) HPGDMAPTKDM4EALDH1A1TSHR
SCHEMBL21268154 0.76 AHR (0.42) HPGDMAPTCYP2C9CYP2C19TSHR
SCHEMBL27597276 0.76 MAPT (0.33) MAPTALDH1A1
SCHEMBL105204 0.76 CA1 (0.48) MAPTKDM4EALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US claimed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US claimed
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2010-11-11 US claimed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US claimed
EP-2066657-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-06-10 EP claimed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 WO claimed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 WO claimed
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US disclosed
US-8431567-B2 Substituted oxindole derivatives and their use as vasopressin and/or oxytocin receptor ligands ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2010-11-11 US disclosed
US-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2009-12-24 US disclosed
EP-2066657-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS Abbott GmbH & Co. KG (DE) 2009-06-10 EP disclosed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 WO disclosed
WO-2008025735-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (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-20090318406-A1 SUBSTITUTED OXINDOLE DERIVATIVES AND THEIR USE AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS OXTR, AVPR2, AVPR1B HPGD 425/4885MAPT 3458/4885CYP2C9 2630/4885
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS OXTR, AVPR2, AVPR1A HPGD 274/4885MAPT 4388/4885CYP2C9 988/4885

“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.