SCHEMBL5595885

SCHEMBL5595885

COc1ccccc1COC[C@H](O)CO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
AGTR1 P30556 1/20 0.61
LMNA P02545 1/20 0.61
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
IDO1 P14902 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 3/20 0.49
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR7 P34969 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL5878268 1.00 CYP1A2 (0.61) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL3952965 0.86 IDO1 (0.49) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL5694073 0.83 IDO1 (0.46) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL7969377 0.83 IDO1 (0.53) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL27691216 0.82 KDM4E (0.44) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL5878675 0.80 KDM4E (0.56) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL5694034 0.80 MEN1 (0.43) CYP1A2AGTR1LMNAMEN1KMT2A
SCHEMBL7506347 0.80 LMNA (0.59) CYP1A2AGTR1LMNAIDO1GAA
SCHEMBL7506353 0.80 LMNA (0.59) CYP1A2AGTR1LMNAIDO1GAA
Guaiacol SCHEMBL339020 0.79 CYP1A2 (0.63) CYP1A2AGTR1LMNAMEN1KMT2A

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-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-31 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-20070123492-A1 Analogs of lysophosphatidic acid and methods of making and using thereof LPAR4, LPAR2, LPAR5 CYP1A2 4601/4885AGTR1 3983/4885LMNA 294/4885

“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.