SCHEMBL20100142

SCHEMBL20100142

Cc1cc(C(=O)O)c(C)cc1COCCOCCOCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PTK2B Q14289 1/20 0.34
RARB P10826 2/20 0.34
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HMGB1 P09429 1/20 0.32
CXCL12 P48061 1/20 0.32
S1PR1 P21453 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL18644270 0.82 MEN1 (0.42) NPSR1KMT2AALDH1A1MEN1HPGD
SCHEMBL21169095 0.81 EPHX2 (0.43) KMT2AALDH1A1RARBMEN1KDM4E
SCHEMBL18644237 0.75 ESR2 (0.42) KMT2AALDH1A1RARBMEN1KDM4E
SCHEMBL15957874 0.75 NPSR1 (0.45) NPSR1ALDH1A1KDM4EHPGDLMNA
Ethylene Glycol SCHEMBL27658105 0.74 KDM4E (0.47) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL12931051 0.73 NPSR1 (0.47) NPSR1ALDH1A1RARBKDM4EHPGD
SCHEMBL9558124 0.73 NPSR1 (0.47) NPSR1KMT2AALDH1A1MEN1KDM4E
SCHEMBL18095288 0.72 ALDH1A1 (0.47) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL10172953 0.72 NPSR1 (0.52) NPSR1KMT2ARARBMEN1KDM4E
Tetraethylene Glycol SCHEMBL17797869 0.71 ALDH1A1 (0.53) KMT2AALDH1A1PTK2BMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134165-A1 COMPOSITION AND LIGHT EMITTING DEVICE CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-04 US disclosed
US-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-03 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-20180123056-A1 LIGHT EMITTING DEVICE AND COMPOSITION USED FOR THIS LIGHT EMITTING DEVICE CHRM1, CRY1, L1CAM NPSR1 4241/4885KMT2A 2869/4885ALDH1A1 59/4885

“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.