SCHEMBL21136940

SCHEMBL21136940

COc1ccc(Cl)cc1C(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
LMNA P02545 1/20 0.42
LPAR1 Q92633 2/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 5/20 0.42
TRPV4 Q9HBA0 1/20 0.42
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
HPGD P15428 1/20 0.41
TTR P02766 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL364796 0.86 ADRA2A (0.45) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL11044403 0.84 KDM4E (0.43) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL84489 0.82 LPAR1 (0.50) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL20855437 0.80 ADRA1A (0.49) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL8782180 0.80 ADRA2A (0.69) MEN1KMT2AADRA2AADRA1AHTR3E
SCHEMBL20855859 0.80 ADRA1A (0.49) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL20855438 0.80 ADRA1A (0.49) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL11040254 0.79 LPAR1 (0.46) MEN1KMT2AHTR3EHTR3BHTR3A
SCHEMBL10712718 0.79 CNR2 (0.56) MEN1KMT2ALMNALPAR1CYP2D6
SCHEMBL16791810 0.79 ADRA2A (0.47) MEN1KMT2AADRA2AADRA1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10343985-B2 Cryopyrin inhibitors for preventing and treating inflammation VIRGINIA COMMONWEALTH UNIVERSITY (US) 2019-07-09 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-10343985-B2 Cryopyrin inhibitors for preventing and treating inflammation IL1RN, SERPINB1, NFKBIA MEN1 3064/4885KMT2A 4707/4885ADRA2A 4357/4885

“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.