SCHEMBL1502389

SCHEMBL1502389

CC(C)(CO)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.41
KDM1A O60341 1/20 0.41
HSD11B1 P28845 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
SRD5A2 P31213 1/20 0.40
MGLL Q99685 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MAP3K5 Q99683 1/20 0.39

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
SCHEMBL11057658 0.82 MEN1 (0.63) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL3674393 0.82 RAB9A (0.51) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL1502414 0.81 LMNA (0.47) NPC1RAB9AMEN1KMT2AHSD11B1
SCHEMBL2925097 0.79 MEN1 (0.49) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL1502290 0.77 MEN1 (0.51) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL2762846 0.77 MEN1 (0.51) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL3673731 0.76 MEN1 (0.47) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL3675219 0.76 KMT2A (0.52) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL9653084 0.76 SRD5A2 (0.57) MEN1KMT2ATP53SRD5A2
SCHEMBL12838213 0.76 EPHX2 (0.49) RAB9AMEN1KMT2ALMNAMAPT

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 NPC1 2610/4885RAB9A 2186/4885MEN1 1657/4885

“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.