SCHEMBL4563182

SCHEMBL4563182

C=CC[N]CCCCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 3/20 0.40
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAAA Q02083 1/20 0.38
FAAH O00519 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
DNM1 Q05193 3/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL89640 0.98
SCHEMBL4959149 0.90
SCHEMBL9214182 0.81 TSHR (0.76) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL7369789 0.80 TSHR (0.38) TSHRALDH1A1MEN1KMT2ANAAA
SCHEMBL2943905 0.79
SCHEMBL277225 0.79 TSHR (0.61) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL107940 0.79 TSHR (0.61) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL9206028 0.79 TSHR (0.61) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL4399689 0.79 TSHR (0.61) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL7697182 0.79 TSHR (0.61) TSHRALDH1A1THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514404-B2 PNA-neamine conjugates and methods for producing and using the same UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 2009-04-07 US disclosed
US-20070225239-A1 Pna-Neamine Conjugates and Methods for Producing and Using the Same NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-09-27 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-20070225239-A1 Pna-Neamine Conjugates and Methods for Producing and Using the Same NCL, PNMT, RNMT TSHR 1625/4885ALDH1A1 3716/4885THRB 2796/4885

“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.