SCHEMBL4190909

SCHEMBL4190909

CC(OCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
HPGD P15428 2/20 0.41
AR P10275 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
CYP24A1 Q07973 1/20 0.38

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
SCHEMBL19597242 0.84 CA1 (0.42) CA1CA2CA9HPGDAR
SCHEMBL6555587 0.83 CA1 (0.41) CA1CA2CA9HPGDAR
SCHEMBL6913132 0.83 KMT2A (0.47) CA1CA2CA9HPGDAR
SCHEMBL1571975 0.80 TSHR (0.52) HPGDSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL5319832 0.79 CYP2A6 (0.41) CA1CA2CA9ARNPC1
SCHEMBL9045544 0.79 SLC1A3 (0.39) CA1CA2CA9HPGDAR
SCHEMBL6913126 0.78 MEN1 (0.39) CA1CA2CA9HPGDNPC1
SCHEMBL10927083 0.78 LMNA (0.46) CA2CA9ARSMN1; SMN2CYP1A2
SCHEMBL7420387 0.77 CA1 (0.39) CA1CA2CA9HPGDAR
SCHEMBL5853921 0.77 CA1 (0.39) CA1CA2CA9HPGDAR

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
JP-8245617-A None JP disclosed
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 EP disclosed
US-20040024261-A1 Process for preparing butanetriol derivative DAISO CO., LTD. (JP) 2004-02-05 US disclosed
US-6620977-B1 Reacting 1,2,4-butanetriol in multiple steps with specified reagents using selective protection and deprotection of hydroxyl groups DAISO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1061062-A1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVE DAISO CO., LTD. (JP) 2000-12-20 EP disclosed
JP-H08245617-A COMPOUND OF LIGAND HAVING SELECTIVITY AGAINST SODIUM ION AND ION SENSOR SUZUKI KOJI 1996-09-24 JP disclosed
US-4727067-A TREATMENT OF ANGINA PECTORIS, CARDIAC ARRHYTHMIA, HYPERTENSION, DEPRESSION CIBA-GEIGY CORPORATION (US) 1988-02-23 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 (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-20040024261-A1 Process for preparing butanetriol derivative CYP4B1, CYP11B2, CYP11B1 CA1 3367/4885CA2 4174/4885CA9 3424/4885

“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.