SCHEMBL173790

SCHEMBL173790

CC(C)COc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.50
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
XBP1 P17861 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
ACACB O00763 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
SCHEMBL19908486 0.89 APP (0.47) APPHPGDMAPTPOLBXBP1
SCHEMBL123415 0.88 MAPT (0.55) HPGDMAPTPOLBXBP1KDM4E
SCHEMBL6479593 0.83 APP (0.47) APPMAPTLMNA
SCHEMBL18260995 0.83 APP (0.47) APPCYP2C9LMNATSHR
SCHEMBL4517217 0.83 LMNA (0.64) APPMAPTPOLBLMNA
SCHEMBL20851318 0.81 MAPT (0.58) HPGDMAPTPOLBXBP1KDM4E
SCHEMBL7329813 0.79 NQO1 (0.67) HPGDMAPTPOLBXBP1KDM4E
SCHEMBL3182331 0.79 HPGD (0.66) HPGDMAPTPOLBXBP1KDM4E
SCHEMBL2231003 0.79 TSHR (0.50) HPGDMAPTPOLBXBP1KDM4E
SCHEMBL8048419 0.78 MAPT (0.49) HPGDMAPTPOLBXBP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210017110-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Board of Regents of the Nevada System Higher Education, on behalf of the University of Nevada, Reno (US) 2021-01-21 US disclosed
US-10840397-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2020-11-17 US disclosed
US-10461201-B2 Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2019-10-29 US disclosed
WO-2019173243-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2019-09-12 WO disclosed
US-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
US-9960294-B2 Highly fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORPORATION (JP) 2018-05-01 US disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2588451-B1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INT (DE) 2015-12-30 EP disclosed
US-20150340519-A1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORPORATION (JP) 2015-11-26 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012032014-A1 ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 WO disclosed
WO-2012001107-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 WO disclosed
EP-0991614-A1 SYNTHESIS OF DIHYDROHONOKIOL COMPOSITIONS Board of Regents, The University of Texas System (US) 2000-04-12 EP disclosed
WO-1999000346-A1 SYNTHESIS OF DIHYDROHONOKIOL COMPOSITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-01-07 WO disclosed
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US 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-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 APP 2322/4885HPGD 123/4885MAPT 2447/4885
US-20210017110-A1 POLYCYCLIC AROMATIC COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AHR, PAH, ALKBH3 APP 912/4885HPGD 1194/4885MAPT 3730/4885

“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.