SCHEMBL4423757

SCHEMBL4423757

[CH2]C(CCO)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.53
FFAR1 O14842 2/20 0.53
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5611708 0.86 CYP2D6 (0.55) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL9214943 0.80 HTR2A (0.66) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL28288677 0.80 GPR84 (0.49) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL11709109 0.79 GPR84 (0.69) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL5186684 0.79 CYP2D6 (0.67) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL16893356 0.78 GPR84 (0.51) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL17232879 0.78 GPR84 (0.62) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL29045649 0.78 GPR84 (0.61) GPR84FFAR1CYP2D6CYP3A4ALDH1A1
SCHEMBL28285212 0.78 MGAM (0.56) GPR84FFAR1MAPTMEN1KMT2A
SCHEMBL5642067 0.77 GPR84 (0.56) GPR84FFAR1CYP2D6CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP claimed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US claimed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP claimed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO claimed
EP-1682538-A4 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S BIO PTE LTD (SG) 2009-05-27 EP disclosed
US-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications A*BIO PTE LTD. (SG) 2007-07-19 US disclosed
EP-1682538-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*Bio Pte Ltd (SG) 2006-07-26 EP disclosed
WO-2005040161-A1 BIARYL LINKED HYDROXAMATES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2005-05-06 WO 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-20070167499-A1 Biaryl linked hydroxamates: preparation and pharmaceutical applications HDAC1, HDAC11, HDAC2 GPR84 2176/4885FFAR1 2222/4885CYP2D6 1404/4885

“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.