SCHEMBL3522115

SCHEMBL3522115

O=CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.52
KCNA3 P22001 2/20 0.40
TSHR P16473 3/20 0.39
CYP19A1 P11511 3/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
OPRK1 P41145 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ADRA1A P35348 1/20 0.39
SLC22A1 O15245 1/20 0.39
NR1I2 O75469 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL27183395 0.80 KCNN4 (0.57) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL867672 0.78 ALDH1A1 (0.41) KCNN4TSHRCYP3A4MEN1KMT2A
SCHEMBL30456862 0.76 KCNN4 (0.47) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL3522896 0.76 KCNN4 (0.47) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL1871740 0.76 KCNN4 (0.47) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL3522893 0.76 KCNN4 (0.47) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL28880786 0.75 ALDH1A1 (0.39) KCNN4TSHRCYP3A4MEN1KMT2A
SCHEMBL3363605 0.72 KCNN4 (0.42) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL28491544 0.72 KCNN4 (0.57) KCNN4KCNA3TSHRCYP19A1HTR2A
SCHEMBL3527440 0.72 KCNN4 (0.43) KCNN4KCNA3TSHRCYP19A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709533-B2 Imines as ion channel modulators ICAGEN, INC. (US) 2010-05-04 US 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
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
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
US-20060178346-A1 Imines as ion channel modulators ICAGEN, INC. (US) 2006-08-10 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
CN-1249018-C Triaryl methane compounds for sickle cell disease HARVARD COLLEGE (US) 2006-04-05 CN 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-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
CN-1251037-A Triarylmethane compounds for sickle cell disease HARVARD COLLEGE (US) 2000-04-19 CN 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-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KCNN4 18/4885KCNA3 504/4885TSHR 4062/4885
US-20060178346-A1 Imines as ion channel modulators KCNN1, KCNN3, KCNN2 KCNN4 4/4885KCNA3 34/4885TSHR 2605/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KCNN4 18/4885KCNA3 504/4885TSHR 4062/4885

“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.