SCHEMBL3389391

SCHEMBL3389391

Oc1ccc2ccccc2c1C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.59
▸ CYP1A2 P05177 3/20 0.59
▸ CYP2C19 P33261 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ CFTR P13569 1/20 0.49
▸ GOPC Q9HD26 1/20 0.49
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ USP2 O75604 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ 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
SCHEMBL23861627 0.83 PTPN22 (0.50) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL5596136 0.80 PTPN22 (0.47) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL23861443 0.80 ESR1 (0.47) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL23499948 0.77 PTPN22 (0.52) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL20398800 0.75 PTPN22 (0.54) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL2221239 0.75 PTPN22 (0.54) HSD17B10CYP1A2CYP2C19CYP2C9PTPN22
SCHEMBL31356444 0.75 PTPN22 (0.54) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL7296516 0.75 PTPN22 (0.54) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL1603439 0.75 PTPN22 (0.54) HSD17B10CYP1A2CYP2C19CYP2C9HPGD
SCHEMBL23861563 0.74 PTPN22 (0.48) HSD17B10CYP1A2CYP2C19CYP2C9PTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144916-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES The Trustees of the University of Pennsylvania (US) 2010-01-20 — — EP disclosed
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
WO-2008124812-A1 PHEN-NAPHTHALENE AND PHEN-QUINOLINE DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-16 — — WO 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 HSD17B10 980/4885CYP1A2 950/4885CYP2C19 976/4885
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO HSD17B10 1995/4885CYP1A2 3595/4885CYP2C19 2564/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO HSD17B10 1995/4885CYP1A2 3595/4885CYP2C19 2564/4885

“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.

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