Citronellic Acid

Citronellic Acid

SCHEMBL29447146

CC(C)=CCCC(C)CC(=O)[O-].CC[N+](CC)(CC)CCO

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GGPS1 O95749 2/20 0.40
FDPS P14324 2/20 0.40
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.31
CA2 P00918 1/20 0.30

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
Citronellic Acid SCHEMBL29715943 0.82 ALOX15 (0.52) ALOX15ALDH1A1GGPS1FDPSUSP2
Citronellic Acid SCHEMBL29908535 0.82 GGPS1 (0.52) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL6050718 0.73 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL991834 0.73 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2
Citronellic Acid SCHEMBL28696560 0.72 ALOX15 (0.50) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL29447139 0.71 KDM4E (0.47) ALOX15ALDH1A1
Acetic Acid SCHEMBL320127 0.71 CA1 (0.40) ALDH1A1TSHR
SCHEMBL4810550 0.70 ALOX15 (0.53) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL5136231 0.69 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2
SCHEMBL4608511 0.69 ALOX15 (0.57) ALOX15ALDH1A1GGPS1FDPSUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257767-A1 IONIC LIQUIDS FOR DRUG DELIVERY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-08-18 US disclosed
EP-3946261-A1 IONIC LIQUIDS FOR DRUG DELIVERY President And Fellows Of Harvard College (US) 2022-02-09 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-20220257767-A1 IONIC LIQUIDS FOR DRUG DELIVERY SLCO4C1, SLC47A1, ABCB11 ALOX15 3128/4885ALDH1A1 898/4885GGPS1 4659/4885

“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.