SCHEMBL24451095

SCHEMBL24451095

CCc1ccc(F)c(OCC(C)c2cccc(O)c2O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ FEN1 P39748 1/20 0.32
▸ IAPP P10997 2/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL2784586 0.68 TSHR (0.73) GABRA1GABRB2TSHRBCHETYR
SCHEMBL4955633 0.65 TSHR (0.52) GABRA1GABRB2TSHRBCHETYR
SCHEMBL10486191 0.65 GABRA1 (0.59) GABRA1GABRB2TSHRCYP1A2HIF1A
SCHEMBL70065 0.64 GABRA1 (0.76) GABRA1GABRB2IAPPALDH1A1LMNA
SCHEMBL30023472 0.64 GABRA1 (0.76) GABRA1GABRB2IAPPALDH1A1LMNA
SCHEMBL632462 0.63 TSHR (0.48) GABRA1GABRB2TSHRBCHETYR
SCHEMBL1618282 0.63 L3MBTL1 (0.42) TSHRMEN1ALDH1A1LMNAMAPT
SCHEMBL4976210 0.63 TSHR (0.44) GABRA1GABRB2TSHRBCHETYR
SCHEMBL4954996 0.63 TSHR (0.48) GABRA1GABRB2TSHRBCHETYR
SCHEMBL24451094 0.62 GCGR (0.31) —

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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-05-26 — — 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-20220162209-A1 SALICYL-ADENOSINEMONOSULFAMATE ANALOGS AND USES THEREOF ADSL, SLC35B2, ADORA1 GABRA1 1989/4885GABRB2 2620/4885TSHR 2606/4885

“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.

Send feedback