SCHEMBL10301437

SCHEMBL10301437

CCCCCCC(C)(C)COC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
SPHK2 Q9NRA0 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
GGPS1 O95749 6/20 0.35
SMPD1 P17405 3/20 0.35
FDPS P14324 9/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 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
SCHEMBL12092743 0.98 SPHK2 (0.34) TSHRTHRBSPHK2SPHK1GGPS1
SCHEMBL13864353 0.90 SPHK2 (0.32) TSHRSPHK2SPHK1
SCHEMBL27805429 0.83 TSHR (0.40) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL2467574 0.81 KMT2A (0.48) TSHRMAPTALOX15CES2
SCHEMBL16038174 0.81 TSHR (0.38) TSHRTHRBSPHK2SPHK1GGPS1
SCHEMBL6037734 0.81 TSHR (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL6884845 0.81 TSHR (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL4664635 0.81 TSHR (0.38) TSHRTHRBSPHK2SPHK1GGPS1
SCHEMBL14416895 0.81 TSHR (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL50896 0.81 TSHR (0.38) TSHRTHRBGGPS1SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263972-B2 Organic electroluminescent device and display medium FUJI XEROX CO. LTD. (JP) 2012-09-11 US disclosed
US-8263972-B2 Organic electroluminescent device and display medium FUJI XEROX CO. LTD. (JP) 2012-09-11 US disclosed
US-8217391-B2 Organic semiconductor transistor, method of producing the same, and electronic device FUJI XEROX CO., LTD. (JP) 2012-07-10 US disclosed
US-8217391-B2 Organic semiconductor transistor, method of producing the same, and electronic device FUJI XEROX CO., LTD. (JP) 2012-07-10 US disclosed
US-20100276672-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2010-11-04 US disclosed
US-20100276672-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY MEDIUM FUJI XEROX CO., LTD. (JP) 2010-11-04 US disclosed
US-7812172-B2 Charge transport materials; for organic electronic devices such as organic photoreceptors, organic electroluminescence devices, organic transistors, and organic optical memories FUJI XEROX CO., LTD. (JP) 2010-10-12 US disclosed
US-7812172-B2 Charge transport materials; for organic electronic devices such as organic photoreceptors, organic electroluminescence devices, organic transistors, and organic optical memories FUJI XEROX CO., LTD. (JP) 2010-10-12 US disclosed
US-20100243995-A1 ORGANIC SEMICONDUCTOR TRANSISTOR, METHOD OF PRODUCING THE SAME, AND ELECTRONIC DEVICE FUJI XEROX CO., LTD. (JP) 2010-09-30 US disclosed
US-20100243995-A1 ORGANIC SEMICONDUCTOR TRANSISTOR, METHOD OF PRODUCING THE SAME, AND ELECTRONIC DEVICE FUJI XEROX CO., LTD. (JP) 2010-09-30 US disclosed
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE FUJI XEROX CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE FUJI XEROX CO., LTD. (JP) 2010-06-03 US disclosed
WO-2009064975-A1 QUINOXALINE-CONTAINING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 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-20100276672-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY MEDIUM L1CAM, OR10J3, ALK TSHR 1934/4885THRB 1437/4885SPHK2 4545/4885
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE BCAT1, ABAT, BCAT2 TSHR 342/4885THRB 335/4885SPHK2 2771/4885

“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.