SCHEMBL3338282

SCHEMBL3338282

O=C(CCBr)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
HPGD P15428 7/20 0.71
KMT2A Q03164 6/20 0.71
CYP1A2 P05177 6/20 0.71
HSD17B10 Q99714 6/20 0.71
KDM4E B2RXH2 5/20 0.71
POLB P06746 3/20 0.71
CYP2D6 P10635 2/20 0.71
GLA P06280 1/20 0.71
MEN1 O00255 5/20 0.46
PTPN1 P18031 2/20 0.45
MAPT P10636 3/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1B1 Q16678 3/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 3/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL22651497 0.88 KMT2A (0.64) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL2048935 0.86 ALDH1A1 (0.66) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL29677028 0.86 ALDH1A1 (0.66) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL2123580 0.85 HPGD (0.73) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL3297895 0.83 KMT2A (1.00) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL28852424 0.82 KMT2A (0.85) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL9359576 0.82 ALDH1A1 (0.74) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL17709257 0.81 ALDH1A1 (0.68) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL27491740 0.80 ALDH1A1 (0.66) ALDH1A1HPGDKMT2ACYP1A2HSD17B10
SCHEMBL2045091 0.80 KMT2A (0.80) ALDH1A1HPGDKMT2ACYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367051-B2 Preparation of functional gel particles with a dual crosslink network CARNEGIE MELLON UNIVERSITY (US) 2013-02-05 US disclosed
US-20100143286-A1 Preparation of functional gel particles with a dual crosslink network CARNEGIE MELLON UNIVERSITY (US) 2010-06-10 US disclosed
WO-2008057163-A2 PREPARATION OF FUNCTIONAL GEL PARTICLES WITH A DUAL CROSSLINK NETWORK CARNEGIE MELLON UNIVERSITY (US) 2008-05-15 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-20100143286-A1 Preparation of functional gel particles with a dual crosslink network PLG, F2, PLAT ALDH1A1 2150/4885HPGD 160/4885KMT2A 4403/4885

“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.