SCHEMBL25642129

SCHEMBL25642129

O=C(OCc1ccccc1)[C@H]1CC[C@H](O)CO1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.41
FKBP1A P62942 2/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL19830987 0.84 TSHR (0.49) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL19749101 0.84 ALDH1A1 (0.52) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL16648788 0.84 ALDH1A1 (0.52) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL29433900 0.84 ALDH1A1 (0.52) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL26704669 0.83 TSHR (0.44) TSHRALDH1A1GAAFABP7FABP5
Bicarbonate SCHEMBL29739771 0.83 ALDH1A1 (0.50) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL18822577 0.81 TSHR (0.43) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL17802945 0.81 TSHR (0.43) TSHRALDH1A1GAAFABP7FABP5
SCHEMBL7261536 0.81 ALDH1A1 (0.56) TSHRALDH1A1FABP7FABP5SMN1; SMN2
SCHEMBL21886493 0.79 ALDH1A1 (0.52) TSHRALDH1A1FABP7FABP5FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-20230078576-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-03-16 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 (3 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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 TSHR 436/4885ALDH1A1 1531/4885GAA 3044/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 TSHR 436/4885ALDH1A1 1531/4885GAA 3044/4885
US-20230078576-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 TSHR 436/4885ALDH1A1 1531/4885GAA 3044/4885

“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.