SCHEMBL5804349

SCHEMBL5804349

CC1(C)CCCC(C)(C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.52
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
APLNR P35414 1/20 0.31
ALDH1A1 P00352 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
Ammonia Solution, Strong SCHEMBL27985130 0.98 FFAR3 (0.50) FFAR3TSHRNFKB1CYP2C19APLNR
SCHEMBL14514521 0.93 FFAR3 (0.50) FFAR3CYP2C19APLNRALDH1A1SMN1; SMN2
SCHEMBL14137689 0.89 FFAR3 (0.58) FFAR3CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL17893172 0.87 FFAR3 (0.60) FFAR3TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL264769 0.82
SCHEMBL11292104 0.81 FFAR3 (0.67) FFAR3TSHRNFKB1CYP2C19APLNR
Bicarbonate SCHEMBL10668252 0.79 FFAR3 (0.41) FFAR3TSHRNFKB1CYP2C19APLNR
Hydrochloric Acid SCHEMBL11826255 0.79
SCHEMBL17771548 0.79 FFAR3 (0.50) FFAR3TSHRNFKB1CYP2C19
SCHEMBL25886393 0.78 FFAR3 (0.40) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof ABBOTT LABORATORIES 2006-12-07 US disclosed
WO-2006110516-A1 ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-4249015-A Preparation of organic acids and/or esters SHELL OIL COMPANY (US) 1981-02-03 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-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof P2RX7, P2RX3, P2RX1 FFAR3 82/4885TSHR 895/4885NFKB1 2241/4885

“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.