SCHEMBL14199897

SCHEMBL14199897

CC(C)c1cccc2oc(=O)n(C)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
FAAH O00519 2/20 0.35
HPGD P15428 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 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
SCHEMBL3354467 0.77 POLB (0.41) TSHRNPSR1POLBHPGDLMNA
SCHEMBL5537338 0.75 JAK2 (0.39) TSHRNPSR1POLBHPGDLMNA
SCHEMBL5541190 0.75 ALDH1A1 (0.41) TSHRNPSR1POLBHPGDMEN1
SCHEMBL5543644 0.75 MEN1 (0.38) TSHRNPSR1POLBHPGDLMNA
SCHEMBL25536906 0.72 CA2 (0.35) TSHRNPSR1POLBHPGDCA2
Bromide SCHEMBL6851089 0.71 CA2 (0.34) TSHRNPSR1POLBHPGDCA2
SCHEMBL3552088 0.70 ALDH1A1 (0.38) POLBHPGDLMNACYP1A2MEN1
SCHEMBL24206544 0.68 CRBN (0.47) TSHRCYP1A2ALDH1A1
SCHEMBL27428448 0.68 DAO (0.42) TSHRHTTFAAHHPGDCA1
SCHEMBL10702454 0.68 DPP4 (0.36) TSHRFAAHHPGDCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (2 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 TSHR 508/4885NPSR1 436/4885POLB 3767/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TSHR 4206/4885NPSR1 4779/4885POLB 1744/4885

“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.