SCHEMBL22071024

SCHEMBL22071024

CCOC(=O)C1COc2ccc(C=O)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
ROCK2 O75116 1/20 0.37

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
SCHEMBL1519580 0.84 TP53 (0.46) TP53MAPTPOLBLMNAAKR1C4
SCHEMBL22070557 0.82 TP53 (0.45) TP53MAPTPOLBLMNAAKR1C4
SCHEMBL10528583 0.82 ALDH1A1 (0.47) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL22070470 0.81 CYP4F2 (0.57) TP53MAPTLMNAAKR1C4AKR1C3
SCHEMBL22070753 0.80 MALT1 (0.45) TP53MAPTPOLBLMNAAKR1C4
SCHEMBL22098452 0.80 CYP4F2 (0.46) TP53MAPTPOLBLMNAAKR1C4
SCHEMBL17443379 0.79 TP53 (0.55) TP53MAPT
SCHEMBL22070912 0.78 NPC1 (0.41) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL7483507 0.78 CYP4F2 (0.46) MAPTPOLBNPC1RAB9ALMNA
SCHEMBL10680765 0.78 NPC1 (0.41) MAPTPOLBNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN 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 (2 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 TP53 2832/4885MAPT 4621/4885POLB 4122/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 TP53 2832/4885MAPT 4621/4885POLB 4122/4885

“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.