SCHEMBL1073458

SCHEMBL1073458

O=C(O)C1CCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
HDAC4 P56524 1/20 0.53
FFAR1 O14842 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 2/20 0.50
SLC9A1 P19634 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 6/20 0.46
MAOB P27338 6/20 0.46
KDM1A O60341 4/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2B6 P20813 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
SLC6A2 P23975 2/20 0.46

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
SCHEMBL15590483 1.00 AKR1C3 (0.55) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL7352068 0.88 KCNQ3 (0.53) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL4522521 0.88 KCNQ3 (0.53) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL7352063 0.88 KCNQ3 (0.53) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL12354198 0.88 KCNQ3 (0.56) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL12592455 0.88 KCNQ3 (0.53) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL838634 0.88 KCNQ3 (0.56) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL22492058 0.88 KCNQ3 (0.56) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL22492062 0.88 KCNQ3 (0.56) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1
SCHEMBL839092 0.88 KCNQ3 (0.53) AKR1C3AKR1C1HDAC4FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120554213-A Synthesis method of 2-phenylcyclobutane-1-formic acid 南京工业大学 2025-08-29 CN disclosed
CN-120554213-A Synthesis method of 2-phenylcyclobutane-1-formic acid 南京工业大学 2025-08-29 CN disclosed
EP-1797953-B1 PROCESS FOR PRODUCING OXYGENIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-01-05 EP disclosed
CN-1988955-B Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO 2010-09-29 CN disclosed
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
CN-1988955-A Method for producing oxygen-containing compound SUMITOMO CHEMICAL CO (JP) 2007-06-27 CN disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT AKR1C3 127/4885AKR1C1 178/4885HDAC4 1115/4885

“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.