SCHEMBL20005771

SCHEMBL20005771

CCCCCCOc1cc2c(cc1C)oc1cc(C)c(OCCCCCC)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 2/20 0.47
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
ESR1 P03372 2/20 0.43
LTB4R Q15722 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL10358933 1.00 PGAM1 (0.47) PGAM1THRATHRBESR1LTB4R
SCHEMBL14523491 1.00 PGAM1 (0.47) PGAM1THRATHRBESR1LTB4R
SCHEMBL12743766 0.98 PGAM1 (0.45) PGAM1THRATHRBESR1LTB4R
SCHEMBL12396849 0.97 PGAM1 (0.45) PGAM1THRATHRBESR1LTB4R
SCHEMBL12593188 0.95 PGAM1 (0.43) PGAM1THRATHRBESR1LTB4R
SCHEMBL19669305 0.94 PGAM1 (0.43) PGAM1THRATHRBESR1LTB4R
SCHEMBL12743768 0.94 PGAM1 (0.43) PGAM1THRATHRBESR1LTB4R
SCHEMBL13671823 0.93 PGAM1 (0.45) PGAM1THRATHRBESR1ALDH1A1
SCHEMBL12593243 0.90 PGAM1 (0.45) PGAM1THRATHRBESR1LTB4R
SCHEMBL16806178 0.89 PGAM1 (0.44) PGAM1THRATHRBESR1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD (JP) 2018-03-29 US 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-20180090687-A1 CROSS-CONJUGATED POLYMER, MATERIAL FOR ELECTRONIC ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A1, SLC1A2, SLC43A1 PGAM1 4615/4885THRA 3444/4885THRB 4371/4885

“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.