SCHEMBL2388027

SCHEMBL2388027

CC(C)C1(O)c2ccccc2CC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDK2 Q15119 1/20 0.36
HTR2A P28223 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2046731 0.76 MAPK1 (0.40) MAPK1SMN1; SMN2HTR2ASIGMAR1
SCHEMBL2389059 0.74 HTR2A (0.39) HTR2ASIGMAR1
Hydrochloric Acid SCHEMBL2389487 0.73 HTR2A (0.38) HTR2ASIGMAR1
SCHEMBL2354334 0.71 HTR2A (0.42) HTR2ASIGMAR1
SCHEMBL15868570 0.71 HTR2A (0.42) MAPK1SMN1; SMN2HTR2A
Methane SCHEMBL7908635 0.71 MAPK1 (0.36) MAPK1SMN1; SMN2PDK2HTR2A
SCHEMBL2388621 0.70 GABRA1 (0.39) ALDH1A1SIGMAR1
Ammonia Solution, Strong SCHEMBL7599790 0.70 HTR2A (0.41) MAPK1SMN1; SMN2HTR2A
SCHEMBL12745150 0.69 MAPK1 (0.35) MAPK1SMN1; SMN2HTR2ASIGMAR1
SCHEMBL24052816 0.68 HTR2A (0.44) HTR2ASIGMAR1

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
EP-2042480-B1 AMINOINDAN DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2013-05-01 EP disclosed
US-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
EP-2042480-A1 AMINOINDAN DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-04-01 EP 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-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF GRIN3A, OPRL1, GRIN2A MAPK1 784/4885SMN1; SMN2 715/4885PDK2 1684/4885

“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.