SCHEMBL10322322

SCHEMBL10322322

CCCCC1CCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 3/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
GABRR1 P24046 5/20 0.39
GABRR2 P28476 1/20 0.39
SLC1A2 P43004 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35

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
SCHEMBL6009936 0.94 ALOX5 (0.55) ALOX5ALDH1A1GABRR1GABRR2TP53
SCHEMBL11183926 0.92 ALOX5 (0.58) ALOX5ALDH1A1POLBTSHR
SCHEMBL28028180 0.88 CYP1A2 (0.42) ALOX5ALDH1A1USP2GAACYP1A2
SCHEMBL6253050 0.88 CYP1A2 (0.42) ALOX5ALDH1A1USP2GAACYP1A2
SCHEMBL3242133 0.86 ALOX5 (0.43) ALOX5ALDH1A1USP2GAAGABRR1
SCHEMBL1911431 0.85 GABRR1 (0.50) ALOX5ALDH1A1USP2GAAGABRR1
SCHEMBL3350176 0.85 GABRR1 (0.50) ALOX5ALDH1A1USP2GAAGABRR1
SCHEMBL18787432 0.82 ALOX5 (0.47) ALOX5ALDH1A1POLB
SCHEMBL6009846 0.82 ALOX5 (0.47) ALOX5ALDH1A1POLB
SCHEMBL8856246 0.81 ALOX5 (0.50) ALOX5ALDH1A1POLBTSHR

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-20130065969-A9 Odour Compounds GIVAUDAN SA (CH) 2013-03-14 US disclosed
US-20120184630-A1 Odour Compounds KRAFT PHILIP (CH) 2012-07-19 US disclosed
CN-101142167-A Compounds that stimulate glucose utilization and methods of use UNIV ALBERTA (CA) 2008-03-12 CN 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 (2 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-20130065969-A9 Odour Compounds PRMT9, PRMT5, PRMT1 ALOX5 117/4885ALDH1A1 2749/4885USP2 2436/4885
US-20120184630-A1 Odour Compounds PRMT9, PRMT5, PRMT1 ALOX5 117/4885ALDH1A1 2749/4885USP2 2436/4885

“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.