SCHEMBL6402986

SCHEMBL6402986

C=CCc1c(C)[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 4/20 0.57
HTT P42858 3/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 4/20 0.56
POLB P06746 2/20 0.56
GAA P10253 3/20 0.54
HTR6 P50406 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
AHR P35869 1/20 0.50
SLC2A1 P11166 1/20 0.50
KRAS P01116 1/20 0.49
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL29953891 0.82 MAPT (0.59) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL1781653 0.82 MAPT (0.59) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL25658191 0.81 KDM4E (0.64) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL3646517 0.80 KDM4E (0.62) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL28181864 0.80 CHRNB2 (0.43) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL4423600 0.79 MAPT (0.65) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL18383120 0.79 MAPT (0.69) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL1077319 0.79 ALDH1A1 (0.40) MAPTCYP3A4ALDH1A1HTTTSHR
SCHEMBL14246882 0.77 HTR2A (0.54)
SCHEMBL669111 0.77 HTT (0.73) MAPTCYP3A4ALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344279-B Synthesis method of indole C2 benzyl C-H bond direct amine methylation 山东第二医科大学 2024-08-30 CN disclosed
CN-118344279-A Synthesis method of indole C2 benzyl C-H bond direct amine methylation 山东第二医科大学 2024-07-16 CN disclosed
US-6872835-B2 Process for preparation of fused pyrroles JAPAN SCIENCE & TECHNOLOGY CORPORATION (JP) 2005-03-29 US disclosed
EP-1302459-B1 PROCESSES FOR PREPARATION OF FUSED PYRROLES JAPAN SCIENCE & TECH AGENCY (JP) 2004-10-27 EP disclosed
US-20040049054-A1 Process for preparation of fused pyrroles JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-03-11 US disclosed
EP-1302459-A1 PROCESSES FOR PREPARATION OF FUSED PYRROLES Japan Science and Technology Corporation (JP) 2003-04-16 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 (1 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-20040049054-A1 Process for preparation of fused pyrroles IDO1, IDO2, PAH MAPT 3087/4885CYP3A4 230/4885ALDH1A1 1591/4885

“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.