SCHEMBL4910078

SCHEMBL4910078

CCCCCCCCCCCCCCCCCCOc1ccc(N)cc1-c1cc(N)ccc1OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
CASP1 P29466 1/20 0.54
HTT P42858 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
TLR8 Q9NR97 2/20 0.48
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKCG P05129 1/20 0.47

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
SCHEMBL4908833 1.00 TSHR (0.56) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL4909965 1.00 TSHR (0.56) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL7045171 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL9168790 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL3278460 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL17817108 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL7045133 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL7043129 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL1608893 0.87 TSHR (0.57) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL23014013 0.86 MAPT (0.74) TSHRMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269458-A1 POLYIMIDE AND LIQUID CRYSTAL ALIGNMENT FILM THEREOF NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2008-10-30 US 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-20080269458-A1 POLYIMIDE AND LIQUID CRYSTAL ALIGNMENT FILM THEREOF PUF60, DDT, PARG TSHR 4533/4885MAPT 89/4885ALDH1A1 3768/4885

“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.