SCHEMBL4489437

SCHEMBL4489437

Cc1cccc(-c2occc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL5 Q9Y5K5 1/20 0.50
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
KMO O15229 2/20 0.46
POLB P06746 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
DHODH Q02127 2/20 0.43
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIN1 Q13526 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL27605296 0.83 ACMSD (0.53) UCHL5IP6K1IP6K3IP6K2KMO
SCHEMBL14901086 0.81 ALDH1A1 (0.46) UCHL5ADRB2ADRB1ADRB3MCL1
SCHEMBL9256829 0.80 TP53 (0.50) UCHL5AKR1C2AKR1C1IP6K1IP6K3
Hydrochloric Acid SCHEMBL7201470 0.79 MCL1 (0.53) UCHL5POLBADRB2ADRB1ADRB3
SCHEMBL25062589 0.79 NPC1 (0.40) IP6K1IP6K3IP6K2POLBNPC1
SCHEMBL27624326 0.78 ACMSD (0.47) UCHL5DHODHMCL1NPC1HPGD
SCHEMBL5950071 0.76 TDP1 (0.54) UCHL5NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL23567447 0.75 RAB9A (0.43) IP6K1IP6K3IP6K2POLBNPC1
SCHEMBL3171124 0.75 IP6K1 (0.51) AKR1C2AKR1C1IP6K1IP6K3IP6K2
SCHEMBL2323369 0.74 KMO (0.46) AKR1C2AKR1C1IP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS ALS THERAPY DEVELOPMENT INSTITUTE, 2023-02-23 US disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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 (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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 UCHL5 3361/4885AKR1C2 2577/4885AKR1C1 2178/4885
US-20230054997-A1 COPPER COMPLEXES FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SOD1, SMN1; SMN2, CLN6 UCHL5 204/4885AKR1C2 3562/4885AKR1C1 3786/4885

“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.