SCHEMBL3801229

SCHEMBL3801229

CC(C)(C)Oc1cccc2[nH]ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 5/20 0.54
HTR1B P28222 2/20 0.48
TRPA1 O75762 1/20 0.47
HTR1A P08908 9/20 0.46
AHR P35869 1/20 0.46
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
ADRB3 P13945 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL7079426 0.89 RHEB (0.51) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL10926969 0.83 HTR1A (0.45) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL29761872 0.81 TRPA1 (0.51) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL12475825 0.81 TRPA1 (0.51) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL4238731 0.80 KDM4E (0.59) RHEBHTR1BTRPA1HTR1AADRB2
SCHEMBL26965714 0.79 RHEB (0.59) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL29992707 0.79 RHEB (0.54) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL321761 0.79 RHEB (0.54) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL29445066 0.79 RHEB (0.54) RHEBHTR1BTRPA1HTR1AAHR
SCHEMBL31189092 0.78 DHPS (0.44) RHEBHTR1BTRPA1HTR1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT RHEB 4316/4885HTR1B 339/4885TRPA1 738/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT RHEB 4499/4885HTR1B 279/4885TRPA1 671/4885

“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.