SCHEMBL20032064

SCHEMBL20032064

CCC(CC)c1ccc(OC(C)C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK2A1 P68400 2/20 0.37
TSHR P16473 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
POLB P06746 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
ACHE P22303 2/20 0.33
PPARA Q07869 1/20 0.33
BCHE P06276 1/20 0.33
FFAR1 O14842 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 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
SCHEMBL21276073 0.82 ALDH1A1 (0.50) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL3365122 0.81 LMNA (0.47) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL20032313 0.81 CSNK2A1 (0.54) SMN1; SMN2CSNK2A1
SCHEMBL20032393 0.81 KCNQ3 (0.36) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL15427750 0.80 ADRA2A (0.37) ALDH1A1GAAACHEPPARABCHE
SCHEMBL10361088 0.78 CSNK2A1 (0.39) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL16960369 0.78 TSHR (0.37) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL19987531 0.78 UGT2B7 (0.41) ALDH1A1MAPTGAAHPGDSMN1; SMN2
SCHEMBL20032061 0.76 PDE2A (0.40) PPARATAS1R3TAS1R1
SCHEMBL13925425 0.75 HTT (0.43) ALDH1A1SMN1; SMN2ACHEBCHE

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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ALDH1A1 433/4885MAPT 4256/4885GAA 3244/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ALDH1A1 433/4885MAPT 4256/4885GAA 3244/4885

“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.