SCHEMBL4150833

SCHEMBL4150833

Cc1ccc(Oc2cccc(CBr)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
HTT P42858 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP13 P45452 1/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CETP P11597 2/20 0.44
NR3C1 P04150 1/20 0.43
FAAH O00519 1/20 0.43
MAOB P27338 1/20 0.42
TEAD4 Q15561 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SLC5A2 P31639 1/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10877262 0.87 ALDH1A1 (0.53) FFAR1HTTTDP1L3MBTL1ALDH1A1
SCHEMBL4166427 0.86 ALDH1A1 (0.60) HTTTDP1MMP13ALDH1A1TSHR
SCHEMBL202774 0.85 ALDH1A1 (0.54) HTTTDP1ALDH1A1TSHRHSD17B10
SCHEMBL8243884 0.84 FFAR1 (0.51) FFAR1HTTTDP1L3MBTL1MMP13
SCHEMBL9560821 0.84 MAPT (0.44) FFAR1HTTTDP1ALDH1A1TSHR
Bromide SCHEMBL11317156 0.83 ALDH1A1 (0.53) FFAR1HTTTDP1ALDH1A1TSHR
SCHEMBL6839352 0.82 ALDH1A1 (0.61) FFAR1HTTTDP1L3MBTL1ALDH1A1
SCHEMBL378897 0.82 FDFT1 (0.46) HTTTDP1MMP13ALDH1A1TSHR
SCHEMBL4169367 0.82 ALDH1A1 (0.58) HTTTDP1ALDH1A1TSHRHSD17B10
SCHEMBL10855231 0.82 FFAR1 (0.50) FFAR1HTTTDP1L3MBTL1MMP13

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
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-04-23 US disclosed
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-12-06 US disclosed
EP-1718653-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY Ligand Pharmaceuticals Inc. (US) 2006-11-08 EP disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 WO disclosed
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 US disclosed
EP-1391450-A1 N-(HETEROCYCLE-METHYL)ALKYLAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND BACTERICIDE Kureha Chemical Industry Co., Ltd. (JP) 2004-02-25 EP disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 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 (3 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-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 FFAR1 2675/4885HTT 3067/4885TDP1 3730/4885
US-20090105292-A9 Glucocorticoid Receptor Modulator Compounds and Methods NR3C1, NR3C2, MC2R FFAR1 38/4885HTT 4858/4885TDP1 3860/4885
US-20070281959-A1 Glucocorticoid receptor modulator compounds and methods NR3C1, NR3C2, MC2R FFAR1 38/4885HTT 4858/4885TDP1 3860/4885

“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.