SCHEMBL2256256

SCHEMBL2256256

[CH2]C(C)Oc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
CYP1A2 P05177 1/20 0.54
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
AGXT P21549 2/20 0.44
UGT2B7 P16662 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
PTPN7 P35236 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL276584 0.83 CYP1A2 (0.58) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL9770329 0.79 CYP2A6 (0.54) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL16893876 0.79 PPARG (0.49) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL19655046 0.79 CYP2A6 (0.54) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL7857138 0.79 CYP1A2 (0.54) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL27612947 0.79 CYP2A6 (0.54) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL11746367 0.79 CYP1A2 (0.54) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL5701249 0.79 CYP2A6 (0.59) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL9064518 0.79 CYP1A2 (0.48) CYP2A6CYP1A2PPARGPPARAAGXT
SCHEMBL9064396 0.79 PPARG (0.51) CYP2A6CYP1A2PPARGPPARAAGXT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
CN-101434749-B Polycarbonate resin composition TEIJIN CHEMICALS LTD 2012-06-20 CN disclosed
CN-101679297-B LXR and FXR modulators EXELIXIS INC 2012-01-11 CN disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
CN-101679297-A lxr and fxr modulators EXELIXIS INC 2010-03-24 CN disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
EP-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
CN-101434749-A Polycarbonate resin composition TEIJIN CHEMICALS LTD (JP) 2009-05-20 CN disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
CN-1135224-C Benzimidazole derivatives ����ҩƷ��ҵ��ʽ���� 2004-01-21 CN disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
US-6399658-B1 REDUCING DRUG SIDE EFFECT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2002-06-04 US disclosed
EP-1142880-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
CN-1303371-A Indole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-11 CN disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
CN-1268123-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-27 CN disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
EP-1004304-A1 COMPOSITION CONTAINING ASCORBIC ACID SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-05-31 EP disclosed
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 CYP2A6 116/4885CYP1A2 251/4885PPARG 40/4885
US-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A CYP2A6 1223/4885CYP1A2 1222/4885PPARG 2279/4885

“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.