SCHEMBL5883941

SCHEMBL5883941

CC1CC(C(=O)O)CC(C)(C)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.67
LMNA P02545 4/20 0.42
PPP1CA P62136 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 5/20 0.41
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
SLC6A4 P31645 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2B6 P20813 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 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
SCHEMBL5501845 0.86 APLNR (0.80) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL3778963 0.83 APLNR (0.48) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL301531 0.81
SCHEMBL225096 0.81 APLNR (0.46) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL3129361 0.81 APLNR (0.46) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL532643 0.80 APLNR (0.47) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL3828406 0.79 APLNR (0.45) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL3824303 0.79 APLNR (0.45) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL3825092 0.79 APLNR (0.45) APLNRLMNAPPP1CAALDH1A1CYP2C19
SCHEMBL3825088 0.79 APLNR (0.45) APLNRLMNAPPP1CAALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107949549-A Novel shrinkage reducing agent for inorganic binder 赢创德固赛有限公司 2018-04-20 CN claimed
CN-107949549-A Novel shrinkage reducing agent for inorganic binder 赢创德固赛有限公司 2018-04-20 CN disclosed
US-7087605-B2 5-Ethyl-imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 EP disclosed
US-20040254187-A1 5-ethyl-imidazotriazinones BAYER HEALTHCARE AG (DE) 2004-12-16 US disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 WO disclosed
US-4948790-A Long-acting androgenic compounds and pharmaceutical compositions thereof ARCHER SYDNEY (US) 1990-08-14 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-20040254187-A1 5-ethyl-imidazotriazinones EPX, TPMT, IL5 APLNR 2976/4885LMNA 2154/4885PPP1CA 1263/4885

“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.