SCHEMBL9256829

SCHEMBL9256829

Cc1ccc(-c2occc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
AKR1C3 P42330 1/20 0.41
GAA P10253 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL8315867 0.84 ALDH1A1 (0.43) TP53MCL1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL27624326 0.83 ACMSD (0.47) MCL1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL14901086 0.82 ALDH1A1 (0.46) MCL1SMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL26119158 0.81 BCL2L1 (0.47) ALDH1A1KMT2APOLBNPC1RAB9A
SCHEMBL15008652 0.81 RXFP1 (0.42) MCL1ALDH1A1KMT2APOLBKDM4E
SCHEMBL14564453 0.81 ALDH1A1 (0.63) TP53SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL4489437 0.80 UCHL5 (0.50) MCL1SMN1; SMN2ALDH1A1KMT2AAKR1C2
SCHEMBL21555682 0.80 KMT2A (0.44) TP53SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL693 0.78 TSHR (0.47) TP53ALDH1A1KMT2ARAB9AMEN1
SCHEMBL14052467 0.77 MEN1 (0.41) TP53SMN1; SMN2ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA TP53 2150/4885MCL1 2730/4885SMN1; SMN2 4217/4885

“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.