SCHEMBL4457613

SCHEMBL4457613

COc1ccc(Cc2ccc(CCl)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
MAOB P27338 1/20 0.50
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
P2RX4 Q99571 1/20 0.44
KDR P35968 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
VKORC1 Q9BQB6 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
SCHEMBL2355103 0.88 LTA4H (0.71) LTA4HMAOBCYP11B1CYP11B2KDR
SCHEMBL28251912 0.78 LTA4H (0.72) LTA4HMAOBCYP11B1CYP11B2
SCHEMBL9341169 0.77 LTA4H (0.50) LTA4HMAOBCYP11B1CYP11B2SIGMAR1
SCHEMBL2027109 0.76 LTA4H (0.69) LTA4HMAOBCYP11B1CYP11B2
SCHEMBL984055 0.74 LTA4H (0.67) LTA4HMAOBCYP11B1CYP11B2P2RX4
SCHEMBL383153 0.74 MEN1 (0.52) LTA4HMAOBCYP11B1CYP11B2
SCHEMBL8993257 0.74 LTA4H (0.65) LTA4H
SCHEMBL3902050 0.74 LTA4H (0.60) LTA4HMAOBCYP11B1CYP11B2
SCHEMBL28131051 0.74 LTA4H (0.60) LTA4HMAOBKDRSIGMAR1
SCHEMBL12869627 0.74 LTA4H (0.60) LTA4HMAOBCYP11B1CYP11B2VKORC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
EP-0918514-B9 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2006-07-05 EP disclosed
EP-0918514-B1 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2005-12-28 EP disclosed
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2004-07-01 US disclosed
US-20030119784-A1 Method for reducing chloride secretion by intestinal epithelial cells in situ: use of triaryl methane compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-26 US disclosed
US-6495567-B1 REDUCING CHLORIDE SECRETION; PREVENTING DEHYDRATION, ACIDOSIS, DEATH AND IMPAIRED GROWTH BETH ISRAEL DEACONESS MEDICAL CENTER 2002-12-17 US disclosed
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2002-08-29 US disclosed
US-6331564-B1 TREATING DIARRHEA CAUSED BY INFLAMMATORY BOWEL DISEASE, AUTOIMMUNE DISEASES SUCH AS LUPUS, GLOMERULONEPHRITIS ION PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0918514-A4 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE HARVARD COLLEGE (US) 2001-05-09 EP disclosed
US-6028103-A Triaryl methane compounds and analogues thereof useful for the treatment or prevention of sickle cell disease or diseases characterized by abnormal cell proliferation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2000-02-22 US disclosed
EP-0918514-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-06-02 EP disclosed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 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 (3 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-20030119784-A1 Method for reducing chloride secretion by intestinal epithelial cells in situ: use of triaryl methane compounds SLC10A2, VIP, CLCN2 LTA4H 752/4885MAOB 3895/4885CYP11B1 317/4885
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO LTA4H 836/4885MAOB 4667/4885CYP11B1 100/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO LTA4H 836/4885MAOB 4667/4885CYP11B1 100/4885

“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.