SCHEMBL447459

SCHEMBL447459

CC(CC(=O)O)(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
TBXA2R P21731 3/20 0.42
BLM P54132 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MME P08473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC13A5 Q86YT5 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36

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
SCHEMBL7415791 0.84 HIF1A (0.56) CYP2C19HIF1ACYP2D6TSHRBLM
SCHEMBL7256038 0.84 HIF1A (0.56) CYP2C19HIF1ACYP2D6TSHRBLM
SCHEMBL20564073 0.83 SLC13A5 (0.50) CYP2C19HIF1ACYP2D6TSHRTBXA2R
SCHEMBL450334 0.82 TBXA2R (0.53) CYP2C19HIF1ATBXA2RBLMLMNA
SCHEMBL446707 0.82 TBXA2R (0.44) CYP2C19HIF1ATBXA2RBLMLMNA
SCHEMBL28316795 0.79 TBXA2R (0.41) TBXA2RLMNAALDH1A1MEN1KMT2A
SCHEMBL5149405 0.78 BLM (0.46) HIF1ABLMLMNAALDH1A1MME
SCHEMBL12492687 0.78 BLM (0.46) BLMLMNAMMEMEN1KMT2A
SCHEMBL11827472 0.77 TBXA2R (0.44) TSHRTBXA2RLMNAMMEMEN1
SCHEMBL2175094 0.77 BLM (0.44) BLMLMNAALDH1A1MMEMEN1

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 CYP2C19 2575/4885HIF1A 2513/4885CYP2D6 2830/4885

“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.