SCHEMBL12040940

SCHEMBL12040940

CCOc1cc(C(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
LMNA P02545 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RECQL P46063 2/20 0.45
MAPK1 P28482 1/20 0.45
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39

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
SCHEMBL16960735 0.88 MAPT (0.52) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL15177302 0.88 LMNA (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL12040956 0.86 MYC (0.52) MAPTMYCMAX
SCHEMBL16952376 0.82 MAPT (0.50) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL12040936 0.82 ALDH1A1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL16954144 0.81 MAPT (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL16955170 0.81 MAPT (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL23130372 0.79 LMNA (0.49) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL11058768 0.79 MAPT (0.58) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL5068190 0.79 MAPT (0.58) MAPTLMNAALDH1A1KMT2AMEN1

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
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 US disclosed
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 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 (2 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO MAPT 1648/4885LMNA 3826/4885ALDH1A1 864/4885
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 MAPT 2413/4885LMNA 4567/4885ALDH1A1 1001/4885

“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.