SCHEMBL7075294

SCHEMBL7075294

CCOC(=O)c1ccccc1OCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HIF1A Q16665 1/20 0.56
TBXAS1 P24557 1/20 0.55
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.53
MAPT P10636 3/20 0.50
HSD17B10 Q99714 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 3/20 0.49
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48

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
SCHEMBL7709004 0.88 TSHR (0.57) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL5353531 0.86 TSHR (0.65) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL10459135 0.85 TSHR (0.61) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL25365376 0.85 NPSR1 (0.63) TSHRMEN1KMT2AHIF1AALDH1A1
SCHEMBL9969538 0.84 TSHR (0.65) TSHRMEN1KMT2AHIF1ATBXAS1
SCHEMBL339281 0.84 LMNA (0.68) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL8982913 0.84 LMNA (0.68) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL11588678 0.84 TSHR (0.59) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL6042513 0.84 TSHR (0.59) TSHRMEN1KMT2ATBXAS1ALDH1A1
SCHEMBL16479591 0.84 TSHR (0.59) TSHRMEN1KMT2ATBXAS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TSHR 4233/4885MEN1 2587/4885KMT2A 3958/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TSHR 4214/4885MEN1 3772/4885KMT2A 3040/4885

“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.