SCHEMBL3092846

SCHEMBL3092846

CN1CCC(C(=O)O)CC1.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.42
CYP2C19 P33261 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42

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
SCHEMBL46774 0.97 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EUSP2HPGD
Water SCHEMBL5420438 0.95 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL26612129 0.95 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EUSP2HPGD
Hydrochloric Acid SCHEMBL641317 0.95 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EUSP2HPGD
Iodide SCHEMBL30988366 0.95 ALDH1A1 (0.53) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL12633292 0.89 ALDH1A1 (0.62) ALDH1A1LMNAKDM4EUSP2HPGD
Sulfuric Acid SCHEMBL28174949 0.89 ALDH1A1 (0.49) ALDH1A1LMNAKDM4EUSP2HPGD
Tert-Butylamine SCHEMBL27942385 0.87 LMNA (0.50) ALDH1A1LMNAKDM4EUSP2HPGD
SCHEMBL16002978 0.85 HTT (0.55) ALDH1A1LMNAHPGDHSD17B10TSHR
SCHEMBL3091613 0.85 ALDH1A1 (0.64) ALDH1A1LMNAKDM4EUSP2HPGD

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-8076302-B2 Pyrimidine nucleoside derivatives and salts thereof ARIGEN PHARMACEUTICALS, INC. (JP) 2011-12-13 US disclosed
US-20100234405-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVES AND SALTS THEREOF ARIGEN PHARMACEUTICALS, INC. (JP) 2010-09-16 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 (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-20100234405-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVES AND SALTS THEREOF PNP, TYMP, NUDT1 ALDH1A1 1134/4885LMNA 2164/4885KDM4E 3775/4885

“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.