SCHEMBL232186

SCHEMBL232186

[CH2]C(C)CCC(CC)CC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL996135 0.86
SCHEMBL5716581 0.86 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL29073426 0.82 ALDH1A1 (0.39) ALDH1A1TDP1TSHR
SCHEMBL17607511 0.82 ALDH1A1 (0.39) ALDH1A1TDP1TSHR
SCHEMBL5528995 0.80 ALDH1A1 (0.37) ALDH1A1TDP1TSHR
SCHEMBL2985546 0.80 OPRM1 (0.46) ALDH1A1TDP1TSHR
SCHEMBL83492 0.79
SCHEMBL3994228 0.79 ALDH1A1 (0.40) ALDH1A1TDP1TSHR
SCHEMBL10526775 0.79 TSHR (0.33) TSHR
SCHEMBL2033701 0.78 ALDH1A1 (0.32) ALDH1A1TDP1TSHR

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4372014-B2 2009-11-25 JP claimed
US-7402576-B2 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2008-07-22 US claimed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP claimed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US claimed
JP-2006506415-A 2006-02-23 JP claimed
CN-1705674-A phosphinic acid analogs of glutamic acid GIVAUDAN SA (CH) 2005-12-07 CN claimed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP claimed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 WO claimed
CN-114478846-A Carrier of catalyst with function of catalyzing olefin polymerization, preparation method and application of carrier, olefin polymerization catalyst and application of olefin polymerization catalyst 中国石油化工股份有限公司 2022-05-13 CN disclosed
EP-2939675-B1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2019-09-04 EP disclosed
US-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-12-11 US disclosed
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2018-01-04 US disclosed
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2015-11-19 US disclosed
EP-2939675-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT Shin Nippon Biomedical Laboratories, Ltd. (JP) 2015-11-04 EP disclosed
WO-2006062233-A1 A STAINING COMPOSITION FOR STAINING AN OPHTHALMIC MEMBRANE NATIONAL UNIVERSITY CORPORATION KYUSHU UNIVERSITY (JP) 2006-06-15 WO disclosed
EP-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 EP disclosed
US-20060052616-A1 Phosphinic acid analogs of glutamate GIVAUDAN SA (CH) 2006-03-09 US disclosed
CN-1705674-A phosphinic acid analogs of glutamic acid GIVAUDAN SA (CH) 2005-12-07 CN disclosed
EP-1599487-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE Givaudan SA (CH) 2005-11-30 EP disclosed
WO-2004043971-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-05-27 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 (4 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-10149840-B2 OCT3 activity inhibitor containing imidazopyridine derivative as active component, and OCT3 detection agent SLCO1B3, SLC22A8, SLCO4C1 ALDH1A1 762/4885TDP1 1585/4885TSHR 2256/4885
US-20180000797-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 ALDH1A1 762/4885TDP1 1585/4885TSHR 2256/4885
US-20060052616-A1 Phosphinic acid analogs of glutamate GLUL, GRIA1, GRM1 ALDH1A1 1539/4885TDP1 3945/4885TSHR 2006/4885
US-20150329540-A1 OCT3 ACTIVITY INHIBITOR CONTAINING IMIDAZOPYRIDINE DERIVATIVE AS ACTIVE COMPONENT, AND OCT3 DETECTION AGENT SLCO1B3, SLC22A8, SLCO4C1 ALDH1A1 879/4885TDP1 1979/4885TSHR 1991/4885

“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.