SCHEMBL10040443

SCHEMBL10040443

C=CC(=O)OCCCCCCOC1CCC(C(=O)OC2CCC(OC(=O)C3CCC(OCCCCCCOC(=O)C=C)CC3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.41
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LSS P48449 1/20 0.34
NAAA Q02083 1/20 0.32
THRB P10828 2/20 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
SCHEMBL10040444 0.96 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13107565 0.95 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18472499 0.95 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18699003 0.94 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12082427 0.94 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL13107535 0.92 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18649377 0.92 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18698939 0.91 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18699034 0.91 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18472502 0.91 TSHR (0.43) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548586-B1 POLYMERISABLE LC MEDIUM AND POLYMER FILM WITH FLAT OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2020-09-23 EP disclosed
US-20170226421-A1 POLYMERISABLE LC MEDIUM AND POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2017-08-10 US disclosed
US-RE46426-E1 Birefringent polymer film with negative optical dispersion MERCK PATENT GMBH (DE) 2017-06-06 US disclosed
WO-2016020035-A1 POLYMERISABLE LC MEDIUM AND POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2016-02-11 WO disclosed
US-8697199-B2 Calamitic mesogenic compounds MERCK PATENT GMBH (DE) 2014-04-15 US disclosed
US-8697199-B2 Calamitic mesogenic compounds MERCK PATENT GMBH (DE) 2014-04-15 US disclosed
EP-2494004-B1 POLYMERISABLE LC MATERIAL AND POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2013-09-25 EP disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8470198-B2 Mesogenic compounds comprising discotic and calamitic groups MERCK PATENT GMBH (DE) 2013-06-25 US disclosed
US-8323527-B2 Fluorene derivatives MERCK PATENT GMBH (DE) 2012-12-04 US disclosed
US-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PARRI OWAIN LLYR 2010-05-06 US disclosed
US-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PARRI OWAIN LLYR 2010-05-06 US disclosed
US-20100072422-A1 Birefringent Layer with Negative Optical Dispersion MERCK PATENT GMBH (DE) 2010-03-25 US disclosed
US-20100072422-A1 Birefringent Layer with Negative Optical Dispersion MERCK PATENT GMBH (DE) 2010-03-25 US disclosed
WO-2010020312-A1 MESOGENIC COMPOUNDS COMPRISING DISCOTIC AND CALAMITIC GROUPS MERCK PATENT GMBH (DE) 2010-02-25 WO disclosed
WO-2009039937-A1 MESOGENIC DIMERS MERCK PATENT GMBH (DE) 2009-04-02 WO disclosed
WO-2009030332-A1 CALAMITIC MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
WO-2009030352-A1 FLUORENE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 WO disclosed
WO-2008119426-A1 BIREFINGENT LAYER WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2008-10-09 WO disclosed
WO-2008119427-A1 BIREFRINGENT POLYMER FILM WITH NEGATIVE OPTICAL DISPERSION MERCK PATENT GMBH (DE) 2008-10-09 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 (1 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-20100110362-A1 Birefringent Polymer Film with Negative Optical Dispersion PUF60, LCP1, MAP1LC3C TSHR 4787/4885ALDH1A1 4619/4885CYP3A4 3751/4885

“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.