SCHEMBL3794702

SCHEMBL3794702

CCC(C)c1cccc2cc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
AHR P35869 1/20 0.44
REN P00797 2/20 0.41
BCHE P06276 3/20 0.40
KEAP1 Q14145 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
PDPK1 O15530 1/20 0.39
BACE1 P56817 1/20 0.37
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL2611040 0.81 AHR (0.50) TSHRAHRRENBCHEKEAP1
SCHEMBL6029505 0.81 AHR (0.43) AHRRENBCHEKEAP1NR3C1
SCHEMBL8302676 0.80 AHR (0.40) AHRRENBCHEKEAP1NR3C1
SCHEMBL14833898 0.79 KEAP1 (0.49) AHRRENBCHEKEAP1NR3C1
SCHEMBL29783549 0.78 AHR (0.52) AHRRENBCHEKEAP1NR3C1
SCHEMBL3738852 0.78 AHR (0.52) AHRRENBCHEKEAP1NR3C1
SCHEMBL2260871 0.78 AHR (0.47) TSHRAHRRENBCHEKEAP1
SCHEMBL1251800 0.75 AHR (0.44) AHRRENBCHEKEAP1NR3C1
SCHEMBL19121929 0.75 BCHE (0.36) AHRBCHEMAPTMAPK1
SCHEMBL20350221 0.74 BCHE (0.35) AHRRENBCHEKEAP1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS THE SCRIPPS RESEARCH INSTITUTE 2019-03-21 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 EP disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 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-20190084947-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR2 TSHR 435/4885AHR 3116/4885REN 2750/4885
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT TSHR 4084/4885AHR 60/4885REN 2393/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT TSHR 4237/4885AHR 51/4885REN 2734/4885

“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.