SCHEMBL10070256

SCHEMBL10070256

CC[C@H](C)CCCC(C)(C)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.36
KCNH3 Q9ULD8 1/20 0.33
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL10070736 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL112618 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP3A4ALOX15
Alcohol SCHEMBL5316638 0.95 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL22833075 0.93 MEN1 (0.48) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL5370214 0.87 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL16357610 0.87 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL3973634 0.84 MEN1 (0.32) MEN1KMT2ACYP3A4ALOX15
SCHEMBL13296191 0.83 TSHR (0.44) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL12844291 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2ACYP3A4ALOX15
SCHEMBL1517434 0.82 MEN1 (0.36) MEN1KMT2ACYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-28 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-20120165300-A1 DIASTEREOMERS OF 2-METHYLENE-19-NOR-22-METHYL-1ALPHA,25-DIHYDROXYVITAMIN D3 CYP24A1, CYP2R1, CYP27B1 ALDH1A1 759/4885MEN1 379/4885KMT2A 2983/4885

“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.