SCHEMBL10686382

SCHEMBL10686382

CCCCC(CC)(CN)CO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
SMPD1 P17405 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TNNC1 P63316 5/20 0.31
S1PR1 P21453 2/20 0.31
SGPL1 O95470 1/20 0.31
S1PR4 O95977 1/20 0.31
GPR183 P32249 1/20 0.31
CERS2 Q96G23 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4074908 0.91 FDPS (0.41) FDPSSMPD1ALDH1A1TNNC1S1PR1
SCHEMBL12417217 0.91 FDPS (0.41) FDPSSMPD1ALDH1A1TNNC1S1PR1
SCHEMBL19283464 0.91 FDPS (0.39) FDPSSMPD1ALDH1A1SMN1; SMN2
SCHEMBL11051714 0.86 FDPS (0.34) FDPS
SCHEMBL2349277 0.85 ALDH1A1 (0.38) FDPSALDH1A1TNNC1S1PR1SGPL1
SCHEMBL8432610 0.85 FDPS (0.39) FDPSSMPD1ALDH1A1
SCHEMBL251421 0.85 ALDH1A1 (0.38) FDPSALDH1A1TNNC1S1PR1SGPL1
SCHEMBL21161 0.85 ALDH1A1 (0.38) FDPSALDH1A1TNNC1S1PR1SGPL1
SCHEMBL10313065 0.85 FDPS (0.39) FDPSSMPD1ALDH1A1
SCHEMBL2343833 0.85 ALDH1A1 (0.38) FDPSALDH1A1TNNC1S1PR1SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446301-A IMIDE FROM BRANCHED ALKANOLAMINE EASTMAN KODAK COMPANY (US) 1984-05-01 US claimed
US-20140161801-A1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2014-06-12 US disclosed
EP-0257848-A2 Certain carbamates, processes for preparing same and use thereof KING INDUSTRIES, INC. (US) 1988-03-02 EP disclosed
US-4446301-A IMIDE FROM BRANCHED ALKANOLAMINE EASTMAN KODAK COMPANY (US) 1984-05-01 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-20140161801-A1 QUINAZOLINE DERIVATIVE AS TYROSINE-KINASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JAK1, JAK2, YES1 FDPS 2492/4885SMPD1 3352/4885ALDH1A1 3164/4885

“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.