SCHEMBL794596

SCHEMBL794596

Fc1cc(I)cc2cc[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
RIPK1 Q13546 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
AHR P35869 3/20 0.38
SLC6A2 P23975 9/20 0.36
SLC6A4 P31645 9/20 0.36
SLC6A3 Q01959 9/20 0.36
CYP2D6 P10635 8/20 0.36
KCNH2 Q12809 1/20 0.36
CHRNA7 P36544 1/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
CSNK2A1 P68400 1/20 0.31
NT5E P21589 1/20 0.30

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
SCHEMBL2537652 0.82 AHR (0.50) TNFRIPK1GPR84AHRSLC6A2
Tert-Butyl Formate SCHEMBL28806846 0.81 TDP1 (0.37) TNFRIPK1GPR84SLC6A2SLC6A4
SCHEMBL30391792 0.77 AHR (0.45) TNFRIPK1GPR84AHRSLC6A2
SCHEMBL1394068 0.77 TNF (0.42) TNFRIPK1GPR84AHRSLC6A2
SCHEMBL3961345 0.77 TNF (0.42) TNFRIPK1GPR84AHRSLC6A2
SCHEMBL120501 0.77 AHR (0.45) TNFRIPK1GPR84AHRSLC6A2
SCHEMBL1960195 0.77 USP2 (0.45) TNFRIPK1GPR84AHRSLC6A2
SCHEMBL14909105 0.77 TNF (0.57) TNFRIPK1GPR84AHRSLC6A2
Bicarbonate SCHEMBL6221914 0.74 CYP2D6 (0.43) TNFRIPK1GPR84AHRSLC6A2
SCHEMBL16629544 0.74 TNF (0.40) TNFRIPK1GPR84AHRSLC6A2

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
CN-115872916-B Method for synthesizing indole-5-formaldehyde compound based on micro-channel reactor 华东理工大学 2025-03-25 CN disclosed
EP-2735562-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2023-11-15 EP disclosed
CN-115872916-A Method for synthesizing indole-5-formaldehyde compound based on microchannel reactor 华东理工大学 2023-03-31 CN disclosed
US-9868704-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9399646-B2 Estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2016-07-26 US disclosed
US-9000175-B2 Bicyclic GPR119 modulators LUPIN LIMITED (IN) 2015-04-07 US disclosed
EP-2735562-B1 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS INC (US) 2015-03-11 EP disclosed
EP-2735562-A1 Estrogen receptor modulators and uses thereof Seragon Pharmaceuticals, Inc. (US) 2014-05-28 EP disclosed
EP-2643311-A1 BICYCLIC GPR119 MODULATORS Lupin Limited (IN) 2013-10-02 EP disclosed
US-20130245000-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2013-09-19 US disclosed
US-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
EP-2616445-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Aragon Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
CN-103189361-A Estrogen receptor modulators and use thereof ARAGON PHARMACEUTICALS INC 2013-07-03 CN disclosed
WO-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed
WO-2012037411-A9 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012037411-A2 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2012-03-22 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-20130231333-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 TNF 3856/4885RIPK1 3358/4885GPR84 110/4885
US-20130245000-A1 BICYCLIC GPR119 MODULATORS GPR119, GPR180, GPBAR1 TNF 3232/4885RIPK1 2610/4885GPR84 6/4885
US-20160297767-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 TNF 3858/4885RIPK1 3320/4885GPR84 105/4885

“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.