SCHEMBL5176309

SCHEMBL5176309

CC(C)(C)c1ccc(CNCCc2ccc(F)cc2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.48
MPO P05164 3/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ESRRG P62508 2/20 0.45
TRPV6 Q9H1D0 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL3624749 0.88 MPO (0.61) KMT2AMPOCA1CA2ESRRG
SCHEMBL5177623 0.86 CYP1A2 (0.55) L3MBTL1KMT2ACA1CA2ESRRG
SCHEMBL5188207 0.83 KMT2A (0.60) L3MBTL1KMT2ACA1CA2TRPV6
SCHEMBL3273909 0.81 L3MBTL1 (0.68) L3MBTL1KMT2AMPOCA1CA2
Hydrochloric Acid SCHEMBL4026088 0.80 L3MBTL1 (0.66) L3MBTL1MPOCA1CA2CYP1A2
SCHEMBL3618885 0.80 ALDH1A1 (0.47) KMT2AMPOCA2CYP1A2CYP2D6
SCHEMBL3624690 0.79 ALDH1A1 (0.46) KMT2AMPOCA2CYP1A2CYP2D6
SCHEMBL3623067 0.77 ALDH1A1 (0.44) KMT2AMPOCA2CYP1A2CYP2D6
SCHEMBL5176305 0.76 LMNA (0.55) KMT2ACA1CA2ESRRGKDM4E
SCHEMBL3624101 0.76 ALDH1A1 (0.50) KMT2ACA2CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP L3MBTL1 2758/4885KMT2A 3176/4885MPO 1251/4885

“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.