SCHEMBL10102483

SCHEMBL10102483

CN(CCOc1ccccc1C1(C)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
HDAC1 Q13547 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
RBP4 P02753 2/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL524534 0.88 HDAC1 (0.39) ALDH1A1KDM4ESMN1; SMN2HRH1L3MBTL1
SCHEMBL19384145 0.86 HDAC1 (0.38) ALDH1A1KDM4ESMN1; SMN2HRH1L3MBTL1
SCHEMBL19384156 0.85 CTSL (0.38) ALDH1A1KDM4ESMN1; SMN2HRH1TP53
Trifluoroacetic Acid SCHEMBL523116 0.82 RBP4 (0.39) ALDH1A1KDM4EHRH1TP53HDAC1
SCHEMBL20854266 0.78 F13A1 (0.39) ALDH1A1KDM4ETP53F13A1TGM2
SCHEMBL29777971 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHRH1L3MBTL1RBP4
SCHEMBL19384151 0.77 HRH1 (0.46) ALDH1A1KDM4ESMN1; SMN2HRH1F13A1
SCHEMBL10102481 0.77 HRH1 (0.40) ALDH1A1KDM4ESMN1; SMN2HRH1L3MBTL1
SCHEMBL524847 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2HRH1TP53
SCHEMBL7367495 0.75 ALDH1A1 (0.58) ALDH1A1L3MBTL1F13A1TGM2TGM1

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
WO-2017162304-A1 CRYSTALLINE FORM ASTRAZENECA AB (SE) 2017-09-28 WO disclosed
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 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 (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-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 ALDH1A1 1934/4885KDM4E 2414/4885SMN1; SMN2 3152/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 ALDH1A1 1798/4885KDM4E 2556/4885SMN1; SMN2 3402/4885

“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.