SCHEMBL10029149

SCHEMBL10029149

CC(=O)[C@@](O)(CSc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KCNN4 O15554 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 1/20 0.40
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
UBE2N P61088 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL10062798 0.84 KCNN4 (0.45) ALDH1A1LMNAHTTKCNN4SMN1; SMN2
SCHEMBL12114460 0.82 KCNN4 (0.43) ALDH1A1LMNAHTTKCNN4SMN1; SMN2
SCHEMBL10029127 0.78 ALDH1A1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2KIF11
SCHEMBL14559172 0.78 TDP1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL12114459 0.74 KIF11 (0.41) ALDH1A1LMNAHTTSMN1; SMN2KIF11
SCHEMBL3811027 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL17381237 0.74 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL6912176 0.74 FFAR1 (0.47) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL12117596 0.73 KCNN4 (0.43) ALDH1A1LMNAHTTKCNN4SMN1; SMN2
SCHEMBL10029128 0.73 POLB (0.42) ALDH1A1SMN1; SMN2KMT2AGAAKDM4E

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-8741951-B2 Non-steroidal compounds for androgen receptor modulation CNR—Consiglio Nazionale Delle Ricerche (IT) 2014-06-03 US disclosed
US-20120041046-A1 NON-STEROIDAL COMPOUNDS FOR ANDROGEN RECEPTOR MODULATION CNR - CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2012-02-16 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 (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-20120041046-A1 NON-STEROIDAL COMPOUNDS FOR ANDROGEN RECEPTOR MODULATION NR5A1, AR, SHBG ALDH1A1 810/4885LMNA 4318/4885HTT 4825/4885

“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.