SCHEMBL25955472

SCHEMBL25955472

CCc1cc(O)cc2cccc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TTR P02766 1/20 0.38
DAO P14920 2/20 0.37
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
CAMK2A Q9UQM7 1/20 0.37
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
FLT3 P36888 1/20 0.36
INPPL1 O15357 1/20 0.35
NSD2 O96028 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL24630603 0.84 GABRA1 (0.48) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL25962670 0.81 CYP1A2 (0.42) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL24791895 0.79 ESR1 (0.47) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL26064407 0.79 FLT3 (0.36) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL24970521 0.77 GABRA1 (0.45) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL25811629 0.77 HSD17B1 (0.44) GABRA1GABRB2DAOESR1ESR2
SCHEMBL25808803 0.77 ESR1 (0.38) GABRA1GABRB2KDM4EMEN1ALDH1A1
SCHEMBL24176119 0.77 MAOA (0.45) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL26719242 0.76 TRPV4 (0.32) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL25955819 0.76 TDP1 (0.37) GABRA1GABRB2KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-11-23 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 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 (6 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS GABRA1 1915/4885GABRB2 1833/4885KDM4E 1655/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS GABRA1 3695/4885GABRB2 3964/4885KDM4E 3110/4885
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS GABRA1 3031/4885GABRB2 3314/4885KDM4E 3751/4885
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS GABRA1 3543/4885GABRB2 3565/4885KDM4E 2251/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS GABRA1 4281/4885GABRB2 4142/4885KDM4E 3094/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS GABRA1 3975/4885GABRB2 4007/4885KDM4E 3651/4885

“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.