SCHEMBL1502390

SCHEMBL1502390

CC(CO)Cc1ccccc1C(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.38
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
ELANE P08246 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDK2 Q15119 1/20 0.35
CNR2 P34972 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
TRPA1 O75762 2/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL7758673 0.79 FOLH1 (0.49) ELANETSHRTRPA1
SCHEMBL3681679 0.79 NPSR1 (0.41) LMNATSHRSMN1; SMN2NPSR1PDK2
SCHEMBL1549947 0.74 LMNA (0.47) POLBLMNATSHRNPSR1CNR2
SCHEMBL2762867 0.72 BCAT2 (0.51) LMNATSHRSMN1; SMN2NPSR1PDK2
SCHEMBL25936797 0.72 KMT2A (0.44) TSHRSMN1; SMN2NPSR1KDM2B
SCHEMBL9817577 0.71 TRPA1 (0.42) ELANETRPA1
SCHEMBL3678742 0.71 ELANE (0.34) POLBLMNAELANETSHRNPSR1
SCHEMBL14862584 0.70 SLC6A2 (0.47) LMNASMN1; SMN2TRPA1
SCHEMBL5819855 0.68 FOLH1 (0.48) LMNATSHR
SCHEMBL2996249 0.68 AKR1C3 (0.46) POLBNPSR1KDM2B

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
EP-2289867-A2 A process for producing 4-(4-halo-1-oxybutyl)-alpha,alpha-dimethylbenzene acetic acid or alkyl esters thereof Jubilant Organosys Limited (IN) 2011-03-02 EP disclosed
US-6903232-B2 Process for the preparation of a highly pure pharmaceutical intermediate, 4-(cyclopropylcarbonyl)-α, α-dimethylphenylacetic acid AUROBINDO PHARMA LTD. (IN) 2005-06-07 US disclosed
US-20040077900-A1 Process for the preparation of a highly pure pharmaceutical intermediate, 4-(cyclopropylcarbonyl)-alpha, alpha-dimethylphenylacetic acid AUROBINDO PHARMA LIMITED (IN) 2004-04-22 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-20040077900-A1 Process for the preparation of a highly pure pharmaceutical intermediate, 4-(cyclopropylcarbonyl)-alpha, alpha-dimethylphenylacetic acid CMA1, HRH1, HRH2 ABL1 852/4885POLB 3536/4885LMNA 4591/4885

“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.