SCHEMBL2615037

SCHEMBL2615037

O=C(OOC(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.74
▸ F2 P00734 1/20 0.74
▸ NPC1 O15118 3/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ PKM P14618 1/20 0.61
▸ PLA2G7 Q13093 1/20 0.54
▸ KMT2A Q03164 5/20 0.53
▸ POLB P06746 2/20 0.53
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KCNK3 O14649 1/20 0.49
▸ KCNK9 Q9NPC2 1/20 0.49
▸ BCL2L1 Q07817 1/20 0.48
▸ BAD Q92934 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL2615036 1.00 LMNA (0.74) LMNAF2NPC1RAB9APKM
SCHEMBL11127178 0.91 CES2 (0.59) LMNAF2NPC1RAB9APKM
SCHEMBL775621 0.87 NPC1 (0.61) LMNAF2NPC1RAB9APKM
Benzoyl Peroxide SCHEMBL5441908 0.86 LMNA (0.81) LMNAF2NPC1RAB9APKM
Benzoyl Peroxide SCHEMBL3467854 0.86 LMNA (0.81) LMNAF2NPC1RAB9APKM
Benzoyl Peroxide SCHEMBL63 0.86 LMNA (1.00) LMNAF2PLA2G7KMT2APOLB
Benzoyl Peroxide SCHEMBL9407293 0.86 LMNA (1.00) LMNAF2PLA2G7KMT2APOLB
Benzoyl Peroxide SCHEMBL5312311 0.86 LMNA (1.00) LMNAF2PLA2G7KMT2APOLB
Benzoyl Peroxide SCHEMBL2929886 0.86 LMNA (1.00) LMNAF2PLA2G7KMT2APOLB
Benzoyl Peroxide SCHEMBL3467853 0.86 LMNA (1.00) LMNAF2PLA2G7KMT2APOLB

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
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — US disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — US disclosed
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 — — 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS LMNA 1375/4885F2 1746/4885NPC1 27/4885

“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.

Send feedback