SCHEMBL6892632

SCHEMBL6892632

C[CH]OC(=O)C1(C)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CETP P11597 2/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 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
SCHEMBL3125035 0.98 FFAR3 (0.39) FFAR3ALDH1A1SMN1; SMN2P2RX7NPSR1
SCHEMBL27419338 0.83 FFAR3 (0.37) FFAR3ALDH1A1SMN1; SMN2P2RX7NPSR1
SCHEMBL2005167 0.81 FFAR3 (0.36) FFAR3ALDH1A1SMN1; SMN2P2RX7NPSR1
SCHEMBL1439598 0.78 FFAR3 (0.33) FFAR3ALDH1A1SMN1; SMN2P2RX7CETP
SCHEMBL1439274 0.78 FFAR3 (0.33) FFAR3ALDH1A1SMN1; SMN2P2RX7CETP
SCHEMBL7739592 0.77 ALDH1A1 (0.45) FFAR3ALDH1A1SMN1; SMN2P2RX7NPSR1
SCHEMBL28000867 0.76 FFAR3 (0.39) FFAR3
SCHEMBL1439146 0.75 FFAR3 (0.34) FFAR3ALDH1A1SMN1; SMN2NPSR1
SCHEMBL1440917 0.75 FFAR3 (0.34) FFAR3ALDH1A1SMN1; SMN2NPSR1
SCHEMBL31443223 0.75 CYP3A4 (0.40) FFAR3ALDH1A1SMN1; SMN2P2RX7NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO claimed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 FFAR3 3398/4885ALDH1A1 1161/4885SMN1; SMN2 2954/4885

“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.