SCHEMBL26544451

SCHEMBL26544451

CNc1ccc(C)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.50
CASR P41180 1/20 0.50
CYP1A2 P05177 1/20 0.47
POLB P06746 3/20 0.47
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MYC P01106 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
AKR1C3 P42330 1/20 0.41
MCL1 Q07820 1/20 0.41
HPGD P15428 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
SCHEMBL1706351 0.84 CYP1A2 (0.47) NR1H4CYP1A2POLBALDH1A1NPC1
SCHEMBL10332053 0.84 SMN1; SMN2 (0.43) NR1H4CASRCYP1A2POLBNPC1
SCHEMBL709947 0.83 HSD17B10 (0.47) CYP1A2POLBALDH1A1NPC1MAPT
SCHEMBL20270054 0.82 KDM4E (0.62) NR1H4CASRCYP1A2POLBPPARG
SCHEMBL17118247 0.82 F3 (0.44) POLBALDH1A1NPC1MAPTRAB9A
SCHEMBL26066712 0.81 NR1H4 (0.51) NR1H4CASRCYP1A2POLBPPARG
SCHEMBL727904 0.80 KDM4C (0.57) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL25143608 0.79 CASR (0.50) NR1H4CASRCYP1A2POLBPPARG
SCHEMBL28867260 0.79 NR1H4 (0.47) NR1H4CASRCYP1A2POLBPPARG
SCHEMBL19966902 0.79 CASR (0.57) NR1H4CASRCYP1A2POLBPPARG

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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
EP-3604322-B1 LACTULOSE GLYCOSIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF FRUITHY HOLDINGS LTD (CN) 2023-10-18 EP 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-20240208913-A1 ARYL HYDROCARBON RECEPTOR AGONISTS AND USES THEREOF AHR, ARNT, NR1H2 NR1H4 5/4885CASR 1732/4885CYP1A2 86/4885

“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.