SCHEMBL8054058

SCHEMBL8054058

CCCCNc1nc(NCCCC)nc(N2CCOCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
ALDH1A1 P00352 4/20 0.63
TP53 P04637 2/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
RAD52 P43351 1/20 0.57
LMNA P02545 3/20 0.55
KDM4E B2RXH2 2/20 0.53
HTT P42858 2/20 0.51
GBA1 P04062 2/20 0.50
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL14725040 0.94 TSHR (0.61) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL8057246 0.94 TSHR (0.64) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL7543871 0.91 TSHR (0.61) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL9913727 0.85 LMNA (0.75) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL7774642 0.84 LMNA (0.73) TSHRTP53MEN1KMT2ASMN1; SMN2
SCHEMBL8054495 0.83 ALDH1A1 (0.78) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL8885835 0.83 TSHR (0.69) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9913722 0.81 KMT2A (0.55) TSHRALDH1A1TP53MEN1KMT2A
SCHEMBL15836257 0.81 TSHR (0.58) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8049805 0.81 GBA1 (0.70) TSHRALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-8198387-B2 Proton-conducting compound and proton-conducting polymer NIPPON STEEL CHEMICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
US-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER NIPPON STREEL CHEMICAL CO., LTD (JP) 2010-03-11 US disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 EP disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 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-20100063249-A1 PROTON-CONDUCTING COMPOUND AND PROTON-CONDUCTING POLYMER HRH3, H1-3, H1-4 TSHR 1312/4885ALDH1A1 2006/4885TP53 4595/4885

“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.