SCHEMBL29344326

SCHEMBL29344326

C=C(CC)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GRM5 P41594 1/20 0.40
CSNK1D P48730 1/20 0.39
IDO1 P14902 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NAAA Q02083 1/20 0.38
AGXT P21549 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL29346470 0.88 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL2219865 0.82 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL10461732 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119397 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119762 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL793986 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL9496959 0.80 CETP (0.47) TSHR
SCHEMBL10795241 0.80 CETP (0.47) TSHR
SCHEMBL6119293 0.79 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL20326363 0.79 GRM5 (0.49) TSHRALDH1A1NPC1MAPTGRM5

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 2 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-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS TSHR 4424/4885CA1 3451/4885CA2 1978/4885

“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.