SCHEMBL4844673

SCHEMBL4844673

CCCCCCc1[c]cc[c]c1CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 2/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR2C P28335 1/20 0.40
HSPE1 P61604 1/20 0.40

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
SCHEMBL4849661 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4846904 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4847847 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4844580 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4849582 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4851680 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4847880 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4846766 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4851247 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4841045 0.97 PTGS2 (0.38) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449542-B2 Polymers XEROX CORPORATION (US) 2008-11-11 US claimed
US-20070093641-A1 POLYMERS XEROX CORPORATION 2007-04-26 US claimed
US-7049629-B2 Semiconductor polymers and devices thereof XEROX CORPORATION (US) 2006-05-23 US claimed
US-20050043504-A1 thienylene-arylene polymers used for microelectronics such as thin film transistors XEROX CORPORATION 2005-02-24 US claimed
US-20050040394-A1 Semiconductor polymers and devices thereof XEROX CORPORATION. 2005-02-24 US claimed
EP-3201963-B1 ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECH LTD (GB) 2023-11-01 EP disclosed
US-20170301879-A1 ORGANIC LIGHT EMITTING DEVICE Cambridge Display Technolpgy Limited (GB) 2017-10-19 US disclosed
EP-3201963-A1 ORGANIC LIGHT EMITTING DEVICE Cambridge Display Technology Limited (GB) 2017-08-09 EP disclosed
EP-2766046-B1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNIV CALIFORNIA (US) 2017-08-02 EP disclosed
US-9669098-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES UNITED STATES DEPARTMENT OF ENERGY 2016-01-14 US disclosed
US-9078922-B2 Metal-organic frameworks with exceptionally large pore aperatures THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-14 US disclosed
EP-2766046-A2 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES The Regents of the University of California (US) 2014-08-20 EP disclosed
WO-2013112212-A2 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-01 WO disclosed
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-18 US disclosed
EP-0835924-B1 Use of an additive for dispersing calcium sulfate in a lubricating oil for diesel engines KAO CORP (JP) 2002-09-11 EP disclosed
EP-0835924-A1 LUBRICATING OIL ADDITIVE AND LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES Kao Corporation (JP) 1998-04-15 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 (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-20050040394-A1 Semiconductor polymers and devices thereof TERB1, SMARCC2, TERT PTGS2 3830/4885ESR1 378/4885ADRA2A 2149/4885
US-20160008472-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES AP3M1, AP2M1, AP2A2 PTGS2 2129/4885ESR1 3788/4885ADRA2A 4332/4885
US-20130096210-A1 METAL-ORGANIC FRAMEWORKS WITH EXCEPTIONALLY LARGE PORE APERATURES AP3M1, AP2M1, AP2A2 PTGS2 2129/4885ESR1 3788/4885ADRA2A 4332/4885

“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.