SCHEMBL5501845

SCHEMBL5501845

CC1(C)CC(C(=O)O)CC(C(=O)O)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.80
CYP2C19 P33261 4/20 0.48
SLC6A4 P31645 1/20 0.43
CYP1A2 P05177 4/20 0.41
ALOX15 P16050 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRR1 P24046 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
GRM4 Q14833 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM5 P41594 1/20 0.35
MTOR P42345 1/20 0.35
GRM1 Q13255 1/20 0.35
PLCB1 Q9NQ66 1/20 0.35

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
SCHEMBL301531 0.89
Hydrochloric Acid SCHEMBL8319598 0.86 APLNR (0.94) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL5883941 0.86 APLNR (0.67) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL849927 0.79 APLNR (0.80) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL11285851 0.76
SCHEMBL23590185 0.75 APLNR (0.65) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL17212627 0.75 APLNR (0.65) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL8318891 0.75 APLNR (0.65) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL16665157 0.74 CYP2C19 (0.48) APLNRCYP2C19SLC6A4CYP1A2ALOX15
SCHEMBL2670798 0.74 CYP2C19 (0.48) APLNRCYP2C19SLC6A4CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276484-B2 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2007-10-02 US disclosed
US-20050182138-A1 Dipeptide inhibitors of beta-secretase ELAN PHARMACEUTICALS, INC. 2005-08-18 US disclosed
US-6864240-B1 Dipeptide inhibitors of β-secretase ELAN PHARMACEUTICALS, INC. (US) 2005-03-08 US disclosed
EP-0240212-B1 PREPARATION OF HIGHLY PURE ALPHA-METHYLSTYRENE POLYMER THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
US-4748222-A Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1988-05-31 US disclosed
EP-0240212-A2 Preparation of highly pure alpha-methylstyrene polymer THE DOW CHEMICAL COMPANY (US) 1987-10-07 EP disclosed
EP-0058217-B1 A PROCESS FOR PRODUCING A RANDOM COPOLYMER AND RANDOM COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1987-05-06 EP disclosed
EP-0058217-A1 A process for producing a random copolymer and random copolymer PHILLIPS PETROLEUM COMPANY (US) 1982-08-25 EP disclosed
US-4277591-A ORGANOLITHIUM INITIATOR AND AN ORGANIC COMPOUND OF SODIUM, POTASSIUM, RUBIDIUM, OR CESIUM PHILLIPS PETROLEUM COMPANY (US) 1981-07-07 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-20050182138-A1 Dipeptide inhibitors of beta-secretase BACE1, APP, BACE2 APLNR 127/4885CYP2C19 4626/4885SLC6A4 3553/4885

“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.