SCHEMBL4440040

SCHEMBL4440040

COc1cc(C=CC=Cc2cc(OC)c(OCCCCCC(=O)O)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 2/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HTR1A P08908 1/20 0.51
HPGD P15428 1/20 0.51
HTR2C P28335 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FFAR1 O14842 1/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
EGFR P00533 1/20 0.50
TUBB1 Q9H4B7 5/20 0.48
TUBB4A P04350 4/20 0.48

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
SCHEMBL4440034 1.00 TNFRSF1A (0.52) TNFRSF1AALDH1A1KDM4EHTR1AHPGD
SCHEMBL13931342 0.95 FFAR1 (0.56) TNFRSF1AALDH1A1KDM4EHTR1AHPGD
SCHEMBL13901335 0.82 TUBB1 (0.60) TNFRSF1AALDH1A1FFAR1PPARGPPARD
SCHEMBL28059563 0.82 POLB (0.52) ALDH1A1POLBMAPK1SMN1; SMN2FFAR1
SCHEMBL28059505 0.82 POLB (0.52) ALDH1A1POLBMAPK1SMN1; SMN2FFAR1
SCHEMBL28059500 0.82 POLB (0.52) ALDH1A1POLBMAPK1SMN1; SMN2FFAR1
SCHEMBL28059388 0.80 TSHR (0.51) ALDH1A1POLBMAPK1SMN1; SMN2FFAR1
SCHEMBL13168904 0.79 KDM4E (0.71) TNFRSF1AALDH1A1KDM4EHTR1AHPGD
SCHEMBL13168902 0.79 KDM4E (0.71) TNFRSF1AALDH1A1KDM4EHTR1AHPGD
SCHEMBL4301809 0.79 PPARA (0.55) FFAR1PPARGPPARDPPARAHDAC1

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-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE SENSOPATH TECHNOLOGIES, INC. 2009-02-12 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-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE ALDH1B1, ALDH2, ALDH3A1 TNFRSF1A 1469/4885ALDH1A1 7/4885KDM4E 3911/4885

“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.