SCHEMBL997825

SCHEMBL997825

CCCCCCc1ccc(CO[PH](=O)OCc2ccc(CCCCCC)c(CC)c2CC)c(CC)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
TYR P14679 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
PTGS2 P35354 4/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL998129 1.00 ALOX5 (0.41) ALOX5TYRTSHRTP53CYP3A4
SCHEMBL11408191 0.86 LIPG (0.45) ALOX5MAPTALOX15LIPGPTGS2
SCHEMBL995340 0.83
SCHEMBL995488 0.82 S1PR3 (0.38) CYP3A4MEN1KMT2AMAPTADRA2A
SCHEMBL995050 0.82 S1PR3 (0.38) CYP3A4MEN1KMT2AMAPTADRA2A
SCHEMBL995491 0.77 NOS3 (0.31)
SCHEMBL8967760 0.76 CTRC (0.31) SLC6A4HTR2A
SCHEMBL8927408 0.74 TAAR1 (0.35) TSHRMAPTHTTALDH1A1KDM4E
SCHEMBL11030307 0.73 ALDH1A1 (0.56) TP53CYP3A4MEN1KMT2AMAPT
SCHEMBL995626 0.73 HDAC3 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133211-B2 Dithienobenzodithiophene semiconductive material and electronic device using the same RICOH COMPANY, LTD. (JP) 2015-09-15 US disclosed
EP-2457272-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME Ricoh Company, Ltd. (JP) 2012-05-30 EP disclosed
US-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2012-05-17 US disclosed
WO-2011010710-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RICOH COMPANY, LTD. (JP) 2011-01-27 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 (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-20120119195-A1 NOVEL ORGANIC SEMICONDUCTIVE MATERIAL AND ELECTRONIC DEVICE USING THE SAME RPS10, OR10J3, RPS20 ALOX5 3991/4885TYR 421/4885TSHR 2803/4885

“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.