SCHEMBL2413045

SCHEMBL2413045

CCCOCCCCC=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL25336996 0.98 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL195667 0.98 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL14966102 0.98 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL25231629 0.98 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL4911952 0.98 TSHR (0.58) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL5446361 0.93
SCHEMBL11498365 0.91 TSHR (0.61) TSHRFAAHTRPV1ALDH1A1HIF1A
SCHEMBL10441178 0.91 TSHR (0.68) TSHRFAAHTRPV1ALDH1A1MEN1
SCHEMBL8386491 0.88 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB
SCHEMBL15923909 0.88 TSHR (0.73) TSHRFAAHTRPV1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103421205-B Surface modifying method and surface modified elastic body 住友橡胶工业株式会社 2019-07-23 CN disclosed
WO-2014169264-A2 NANOPARTICLE MEDIATED DELIVERY OF SIRNA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-16 WO disclosed
EP-1559716-B1 PYRAZOLONAPHTHYRIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-09-14 EP disclosed
US-20100093782-A1 Pyrazolonaphthyridine derivatives KANAZAWA HASHIME 2010-04-15 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-20100093782-A1 Pyrazolonaphthyridine derivatives PDE3B, PDE3A, PDE4A TSHR 1639/4885FAAH 2640/4885TRPV1 2530/4885

“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.