SCHEMBL3010680

SCHEMBL3010680

CCC(C)C(C)COC(=O)c1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL31207939 0.82 CYP1A2 (0.32) MAPTSMN1; SMN2ALDH1A1CYP1A2KDM4E
SCHEMBL179565 0.79 CYP1A2 (0.50) MAPTSMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL3012697 0.77 MEN1 (0.30)
SCHEMBL27781648 0.77 GABRA1 (0.46) MAPTSMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL27758156 0.77 PRSS1 (0.55) ALDH1A1TSHR
SCHEMBL3015836 0.76 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL3008544 0.74 LMNA (0.54) MAPTSMN1; SMN2ALDH1A1TSHRCYP1A2
SCHEMBL3014408 0.73 CNR2 (0.32) MAPTALDH1A1
SCHEMBL3010858 0.73 HPGD (0.36) SMN1; SMN2ALDH1A1
SCHEMBL31207928 0.73 SYK (0.40) MAPTSMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 US disclosed
EP-2167474-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES Valletta Health IP EE B.V. (NL) 2010-03-31 EP disclosed
WO-2008153385-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH B.V. (NL) 2008-12-18 WO 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 MAPT 3246/4885SMN1; SMN2 2095/4885ALDH1A1 2060/4885

“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.