SCHEMBL14047237

SCHEMBL14047237

COc1cc(C)ccc1Oc1ccccc1C(C)OC[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 6/20 0.38
MAPT P10636 6/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 3/20 0.38
RAB9A P51151 3/20 0.38
AR P10275 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LPAR1 Q92633 8/20 0.37
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL4609623 0.85 ALDH1A1 (0.49) ALDH1A1GLAL3MBTL1ACHESMN1; SMN2
SCHEMBL4609577 0.85 ALDH1A1 (0.49) ALDH1A1GLAL3MBTL1ACHESMN1; SMN2
SCHEMBL4609570 0.85 ALDH1A1 (0.49) ALDH1A1GLAL3MBTL1ACHESMN1; SMN2
SCHEMBL13599411 0.85 TTR (0.47) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL1556778 0.83 MAPT (0.42) ALDH1A1MAPTNPC1RAB9ACYP1A2
SCHEMBL1556773 0.83 MAPT (0.42) ALDH1A1MAPTNPC1RAB9ACYP1A2
SCHEMBL6741923 0.74 ALDH1A1 (0.40) ALDH1A1GLASMN1; SMN2CYP3A4KDM4E
SCHEMBL17226995 0.74 ALDH1A1 (0.40) ALDH1A1GLASMN1; SMN2CYP3A4KDM4E
SCHEMBL4610991 0.74 ALDH1A1 (0.51) ALDH1A1GLAMAPTHPGDCYP1A2
SCHEMBL4610998 0.74 ALDH1A1 (0.51) ALDH1A1GLAMAPTHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301552-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2012-11-29 US disclosed
US-20080255042-A1 CaSR Antagonist JAPAN TOBACCO INC. (JP) 2008-10-16 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-20120301552-A1 CaSR Antagonist CASR, CALCR, CALCRL ALDH1A1 3748/4885GLA 2058/4885L3MBTL1 4402/4885
US-20080255042-A1 CaSR Antagonist CASR, CALCR, CALCRL ALDH1A1 3748/4885GLA 2058/4885L3MBTL1 4402/4885

“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.