SCHEMBL21155241

SCHEMBL21155241

C[C@H](O)CC[C@@H](C)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GMNN O75496 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SHBG P04278 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL12321734 0.98 TP53 (0.41) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL175125 0.98 TP53 (0.41) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL12321190 0.80 TP53 (0.43) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL12321238 0.80 TP53 (0.43) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL12321179 0.80 TP53 (0.43) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL8009642 0.78 SHBG (0.37) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL26105785 0.78 SHBG (0.42) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL5545142 0.78 SHBG (0.37) TP53SHBGEPHX1
SCHEMBL170961 0.77 SHBG (0.39) TP53SMN1; SMN2KDM4EGMNNLMNA
SCHEMBL2909459 0.77 TP53 (0.36) TP53SMN1; SMN2KDM4EGMNNLMNA

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-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2019-07-11 — — 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-20190209592-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR3, S1PR4 TP53 4575/4885SMN1; SMN2 1597/4885KDM4E 3227/4885

“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.

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