SCHEMBL25823520

SCHEMBL25823520

Cc1ccc(C)c(OCCN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
TDP1 Q9NUW8 2/20 0.51
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C8 P10632 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA1A P35348 1/20 0.51
PPARG P37231 1/20 0.51
HTR2B P41595 1/20 0.51
PPARA Q07869 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
CISD1 Q9NZ45 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
POLB P06746 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL13697 0.90 TSHR (0.62) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL5929495 0.87 TSHR (0.67) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL5266458 0.85 TSHR (0.70) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL7819533 0.84 SMN1; SMN2 (0.54) TSHRSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL14605587 0.83 TSHR (0.53) TSHRTDP1CYP2C9SMN1; SMN2TTR
Hydrochloric Acid SCHEMBL21595757 0.82 SMN1; SMN2 (0.53) TSHRSMN1; SMN2ADRA1AALDH1A1HPGD
SCHEMBL454009 0.82 KDM4E (0.45) TSHRSMN1; SMN2CYP1A2TAAR1KDM4E
SCHEMBL13212083 0.82 TSHR (0.53) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL172302 0.82 TSHR (0.61) TSHRTDP1CYP2C9SMN1; SMN2TTR
SCHEMBL13224665 0.81 TSHR (0.56) TSHRTDP1CYP2C9SMN1; SMN2TTR

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TSHR 2971/4885TDP1 529/4885CYP2C9 4266/4885

“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.