SCHEMBL4528072

SCHEMBL4528072

COc1ccc(Br)cc1C(=O)CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
STAT3 P40763 1/20 0.49
ACHE P22303 1/20 0.48
HTR4 Q13639 1/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP3A4 P08684 1/20 0.47

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
SCHEMBL22341116 0.86 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL83056 0.86 HPGDS (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL20855483 0.86 HMGCR (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL20855508 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL6669460 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL5478330 0.82 ACHE (0.51) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL30362007 0.82 POLB (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL1221627 0.82 POLB (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL23292520 0.81 KCNH2 (0.49) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL4529945 0.81 KMT2A (0.51) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B ALDH1A1 1363/4885SMN1; SMN2 2157/4885MAPT 2855/4885

“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.