SCHEMBL3547696

SCHEMBL3547696

C=CCc1c[c]cc(CC=C)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
POLB P06746 3/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ALOX5 P09917 3/20 0.35
GABRA1 P14867 2/20 0.35
CNR2 P34972 2/20 0.35
GABRB2 P47870 2/20 0.35
DHFR P00374 1/20 0.35
AR P10275 1/20 0.33
PTGS1 P23219 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL3544021 0.89 CYP3A4 (0.47) CYP3A4ALOX15ALDH1A1SMN1; SMN2TP53
SCHEMBL3551171 0.79 CYP3A4 (0.40) CYP3A4ALOX15ALDH1A1SMN1; SMN2POLB
SCHEMBL8451613 0.78 CYP3A4 (0.51) CYP3A4ALOX15ALDH1A1SMN1; SMN2TP53
SCHEMBL770139 0.77 ALDH1A1 (0.50) CYP3A4ALOX15ALDH1A1SMN1; SMN2TP53
SCHEMBL44672 0.77 GABRA1 (0.48) CYP3A4ALOX15ALDH1A1SMN1; SMN2TP53
SCHEMBL5879482 0.77 CYP3A4 (0.50) CYP3A4ALOX15ALDH1A1SMN1; SMN2TP53
SCHEMBL3547863 0.76 ALOX5 (0.42) CYP3A4ALOX15ALDH1A1POLBPPARG
SCHEMBL23728389 0.73 GABRA1 (0.44) CYP3A4ALOX15ALDH1A1SMN1; SMN2TP53
SCHEMBL2285852 0.73 PTGS2 (0.38) DHFRMAPT
SCHEMBL7058487 0.73 GABRA1 (0.34) POLBGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE CYP3A4 3888/4885ALOX15 4471/4885ALDH1A1 2309/4885

“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.