SCHEMBL18210658

SCHEMBL18210658

CC(C)(C)c1cccc(Oc2cccc(F)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
P2RY1 P47900 1/20 0.45
SOD1 P00441 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
CETP P11597 1/20 0.39
ACHE P22303 4/20 0.39
NFE2L2 Q16236 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL18118971 0.88 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL13118070 0.87 CYP2C9 (0.49) CYP3A4CYP2C9CYP2C19P2RY1SOD1
SCHEMBL26262687 0.87 MAPT (0.52) CYP2C9POLBKMT2AMMP2MMP3
SCHEMBL15576545 0.86 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL31070675 0.84 EPAS1 (0.46) CYP3A4CYP2C9CYP2C19P2RY1
SCHEMBL25906303 0.83 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19P2RY1SOD1
SCHEMBL13216570 0.83 CYP2C9 (0.51) CYP3A4CYP2C9CYP2C19P2RY1POLB
SCHEMBL5671239 0.82 CYP2C9 (0.54) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL179310 0.82 KCNN4 (0.50) ACHENFE2L2HDAC4HDAC2HDAC8
SCHEMBL7938427 0.82 MAPT (0.46) POLBKMT2AACHENFE2L2SLC6A2

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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-9486422-B2 Small molecule inhibitors of Mcl-1 and the uses of thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-08 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 (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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 CYP3A4 66/4885CYP2C9 175/4885CYP2C19 439/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF CYP3A4 593/4885CYP2C9 1173/4885CYP2C19 2060/4885

“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.