SCHEMBL578487

SCHEMBL578487

CCC(CC)(C(=O)N(C)C)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
GGPS1 O95749 3/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL9004230 0.80 MMP1 (0.46) FDPSMMP1MMP2MMP3MMP8
SCHEMBL6614297 0.79
SCHEMBL10850693 0.74 MMP1 (0.53) FDPSMMP1MMP2MMP3MMP8
SCHEMBL6051813 0.73 FDPS (0.37) FDPSMMP1MMP2MMP3MMP8
SCHEMBL282438 0.73 FDPS (0.37) FDPSGGPS1
SCHEMBL3281290 0.73 FDPS (0.37) FDPSMMP1MMP2MMP3MMP8
SCHEMBL2857618 0.71 GGPS1 (0.37) FDPSMMP1MMP2MMP3MMP8
Hydrochloric Acid SCHEMBL4158783 0.71 FDPS (0.36) FDPSGGPS1
SCHEMBL410826 0.71 FDPS (0.39) FDPSMMP1MMP2MMP3MMP8
SCHEMBL2298232 0.71 FDPS (0.36) FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP disclosed
US-4639450-A LIVER DISORDERS EISAI CO., LTD. (JP) 1987-01-27 US disclosed
US-4564477-A DOLICHOL INTERMEDIATE KURARAY CO., LTD. (JP) 1986-01-14 US disclosed
EP-0087136-B1 NOVEL POLYPRENYL COMPOUNDS, METHOD OF PRODUCING THE SAME AND THEIR USE IN DOLICHOL PRODUCTION KURARAY CO., LTD. (JP) 1985-07-31 EP disclosed
US-4456603-A Polyprenylcarboxylic acid amides useful for treating liver dysfunction EISAI CO., LTD. (JP) 1984-06-26 US disclosed
EP-0087136-A2 Novel polyprenyl compounds, method of producing the same and their use in dolichol production KURARAY CO., LTD. (JP) 1983-08-31 EP disclosed
US-4388237-A NEUROLEPTIC, SEDATIVE, HYPNOTIC, ANALGESIC, ANTIDEPRESSANT BASF AKTIENGESELLSCHAFT (DE) 1983-06-14 US disclosed
US-4336192-A ANALGESICS, SEDATIVES, ANTICHOLINERGIC AGENTS, ANTIEMETICS BASF AKTIENGESELLSCHAFT (DE) 1982-06-22 US disclosed
EP-0019172-A1 6-Substituted 11-alkylene-morphantridines, process for preparing them and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1980-11-26 EP disclosed
EP-0019157-A1 5,6-Dihydro-11-alkylene-morphanthridin-6-ones and process for their preparation BASF Aktiengesellschaft (DE) 1980-11-26 EP 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 FDPS 3307/4885MMP1 81/4885MMP2 38/4885

“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.