SCHEMBL1473434

SCHEMBL1473434

CCCCCCCCOBO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
LPAR3 Q9UBY5 6/20 0.43
LPAR2 Q9HBW0 5/20 0.43
LPAR1 Q92633 2/20 0.43
NAAA Q02083 1/20 0.43
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CES2 O00748 1/20 0.41
GBA1 P04062 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15092019 1.00
SCHEMBL21581249 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL17937906 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL21581268 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL21581256 1.00 THRB (0.44) THRBMEN1KMT2AHTTMAPT
SCHEMBL45784 0.97
Alcohol SCHEMBL28159426 0.84 TSHR (0.44) THRBMEN1KMT2AHTTMAPT
Acetonitrile SCHEMBL28980702 0.78 TSHR (0.34) TSHRALDH1A1
SCHEMBL21581247 0.78 THRB (0.47) THRBMEN1KMT2AHTTMAPT
SCHEMBL14688826 0.78 THRB (0.47) THRBMEN1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3575289-B1 ALKANOLAMINE, FRICTION-REDUCING AGENT, AND LUBRICATING OIL COMPOSITION TOSOH CORP (JP) 2023-04-19 EP disclosed
US-10927084-B2 Alkanolamine, friction-reducing agent, and lubricating oil composition TOSOH CORPORATION (JP) 2021-02-23 US disclosed
EP-3048107-B1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME FUTURE INK CORP (JP) 2021-01-13 EP disclosed
US-20200039942-A1 ALKANOLAMINE, FRICTION-REDUCING AGENT, AND LUBRICATING OIL COMPOSITION TOSOH CORPORATION (JP) 2020-02-06 US disclosed
EP-3575289-A1 ALKANOLAMINE, FRICTION-REDUCING AGENT, AND LUBRICATING OIL COMPOSITION Tosoh Corporation (JP) 2019-12-04 EP disclosed
US-9978954-B2 Benzobis (thiadiazole) derivative, ink comprising same, and organic electronic device comprising same UBE INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME FUTURE INK CORPORATION (JP) 2016-09-22 US disclosed
EP-3048107-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK CONTAINING SAME, AND ORGANIC ELECTRONIC DEVICE USING SAME UBE Industries, Ltd. (JP) 2016-07-27 EP disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-7915315-B2 Benzocycloheptyl analogs having sphingosine 1-phosphate receptor activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-03-29 US disclosed
US-7786173-B2 Tetralin analogs having sphingosine 1-phosphate agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-08-31 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253759-A1 TETRALIN ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
EP-2099741-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-16 EP disclosed
EP-2097397-A1 TETRALIN ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE AGONIST ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-09 EP disclosed
EP-2097371-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-09 EP disclosed
WO-2008064320-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
WO-2008064337-A2 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 WO disclosed
WO-2008064315-A1 TETRALIN ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 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 (6 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-20160276598-A1 BENZOBIS (THIADIAZOLE) DERIVATIVE, INK COMPRISING SAME, AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME BRD3, TH, BRS3 THRB 1495/4885MEN1 1323/4885KMT2A 2120/4885
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 THRB 215/4885MEN1 2536/4885KMT2A 2642/4885
US-20200039942-A1 ALKANOLAMINE, FRICTION-REDUCING AGENT, AND LUBRICATING OIL COMPOSITION APOB, HRH3, PHOSPHO1 THRB 1854/4885MEN1 3143/4885KMT2A 1714/4885
US-10927084-B2 Alkanolamine, friction-reducing agent, and lubricating oil composition APOB, HRH3, PHOSPHO1 THRB 1854/4885MEN1 3143/4885KMT2A 1714/4885
US-20090253759-A1 TETRALIN ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE AGONIST ACTIVITY S1PR1, S1PR4, S1PR2 THRB 29/4885MEN1 1426/4885KMT2A 3921/4885
US-20090253761-A1 BENZOCYCLOHEPTYL ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR ACTIVITY S1PR1, S1PR4, S1PR2 THRB 203/4885MEN1 2548/4885KMT2A 3879/4885

“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.