SCHEMBL7680050

SCHEMBL7680050

COc1ccc(C=Cc2ccncc2)cc1OCCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
CNR2 P34972 2/20 0.53
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP1B1 Q16678 2/20 0.51
PDE4A P27815 4/20 0.50
PDE4B Q07343 4/20 0.50
PDE4C Q08493 4/20 0.50
PDE4D Q08499 4/20 0.50
KDM4E B2RXH2 2/20 0.48
TTR P02766 1/20 0.48
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TUBB1 Q9H4B7 2/20 0.47
ALOX5 P09917 1/20 0.47
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7680045 1.00 ALDH1A1 (0.59) ALDH1A1MAPTSMN1; SMN2HPGDCNR2
SCHEMBL6228384 0.82 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL6942920 0.82 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL7545268 0.80 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL19649051 0.79 HPGD (0.67) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A1
SCHEMBL7359690 0.79 PDE4A (0.55) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL6949716 0.79 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL6950497 0.79 MAPT (0.55) ALDH1A1MAPTSMN1; SMN2HPGDCYP1A2
SCHEMBL7359689 0.79 PDE4A (0.55) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL7680043 0.78 PDE4B (0.57) ALDH1A1CNR2PDE4APDE4BPDE4C

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-20020143011-A1 Tri-substituted phenyl derivatives and processes for their preparation CELLTECH THERAPEUTICS, LIMITED 2002-10-03 US disclosed
US-6245774-B1 ANTIINFLAMMATORY AGENTS; BRONCHODILATOR AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2001-06-12 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-20020143011-A1 Tri-substituted phenyl derivatives and processes for their preparation CBR1, NCOR1, CNR1 ALDH1A1 2785/4885MAPT 3885/4885SMN1; SMN2 1142/4885

“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.