SCHEMBL3942501

SCHEMBL3942501

CC(C)(C)c1ccc(CC(C(N)=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.45
CNR1 P21554 1/20 0.44
GCGR P47871 3/20 0.43
ADCY6 O43306 2/20 0.43
ADCY3 O60266 2/20 0.43
ADCY9 O60503 2/20 0.43
ADCY5 O95622 2/20 0.43
ADCY8 P40145 2/20 0.43
ADCY7 P51828 2/20 0.43
ADCY2 Q08462 2/20 0.43
ADCY1 Q08828 2/20 0.43
ADCY4 Q8NFM4 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3271868 0.87 EPHX1 (0.51) EPHX1GCGRADCY6ADCY3ADCY9
SCHEMBL4027743 0.87 ESR1 (0.58) EPHX1ESR1ESR2LMNA
SCHEMBL5175445 0.86 CNR1 (0.48) EPHX1MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5176814 0.86 EPHX1 (0.50) EPHX1GCGRADCY6ADCY3ADCY9
SCHEMBL3273907 0.86 EPHX1 (0.50) EPHX1MEN1KMT2AGCGRADCY6
SCHEMBL3277794 0.85 EPHX1 (0.43) EPHX1GCGRADCY6ADCY3ADCY9
Hydrochloric Acid SCHEMBL4026086 0.84 EPHX1 (0.49) EPHX1MEN1KMT2AGCGRADCY6
SCHEMBL3276785 0.84 ICMT (0.48) EPHX1MEN1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL3950180 0.84 EPHX1 (0.42) EPHX1GCGRADCY6ADCY3ADCY9
SCHEMBL3939264 0.84 EPHX1 (0.49) EPHX1MEN1KMT2AGCGRADCY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP EPHX1 2381/4885MEN1 2604/4885CYP1A2 156/4885
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP EPHX1 1260/4885MEN1 1778/4885CYP1A2 318/4885

“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.