SCHEMBL22387461

SCHEMBL22387461

CCOC(=O)C(C)C1C[C@@H]2CC3(C[C@@H]2C1)OCCO3

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 4/20 0.33
CYP2C19 P33261 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2D6 P10635 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
SCHEMBL22270967 1.00 POLB (0.37) POLBALDH1A1LMNAHPGDMAPT
SCHEMBL22270906 1.00 POLB (0.37) POLBALDH1A1LMNAHPGDMAPT
SCHEMBL1188768 0.79 POLB (0.41) POLBALDH1A1LMNAKMT2ACYP3A4
SCHEMBL22387388 0.78 ALDH1A1 (0.32) POLBALDH1A1LMNAHPGDMAPT
SCHEMBL15106112 0.77 CYP3A4 (0.45) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL22387462 0.74 L3MBTL1 (0.36) ALDH1A1LMNANPSR1CYP3A4CYP2C19
SCHEMBL15114497 0.74 POLB (0.39) POLBALDH1A1LMNAKMT2ACYP3A4
SCHEMBL15105917 0.74 POLB (0.39) POLBALDH1A1LMNAKMT2ACYP3A4
SCHEMBL15125259 0.74 POLB (0.39) POLBALDH1A1LMNAKMT2ACYP3A4
SCHEMBL22270908 0.72 ALDH1A1 (0.37) ALDH1A1LMNAHPGDMAPTKMT2A

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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 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-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 POLB 1082/4885ALDH1A1 570/4885LMNA 3524/4885

“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.