SCHEMBL3334130

SCHEMBL3334130

CC(C)=C1C2C=CC1c1cc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 6/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
TSHR P16473 6/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 0.40
GPR35 Q9HC97 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLO1 Q04760 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL437174 0.72 TDP1 (0.41) HIF1AALDH1A1TSHRLMNATDP1
SCHEMBL13116623 0.69 TSHR (0.47) HIF1AALDH1A1CHRNB4CHRNA3TSHR
SCHEMBL19243529 0.69 TSHR (0.56) ALDH1A1CHRNB4CHRNA3TSHRLMNA
SCHEMBL19207373 0.69 TSHR (0.56) ALDH1A1CHRNB4CHRNA3TSHRLMNA
SCHEMBL22898429 0.66 TSHR (0.47) HIF1AALDH1A1CHRNB4CHRNA3TSHR
SCHEMBL451767 0.66 CHRNB4 (0.54) HIF1AALDH1A1CHRNB4CHRNA3TSHR
Dinitrophenylene SCHEMBL27724274 0.65 TSHR (0.77) ALDH1A1TSHRLMNAHSP90AA1TDP1
SCHEMBL30522666 0.65 TSHR (0.56) HIF1AALDH1A1CHRNB4CHRNA3TSHR
SCHEMBL28092025 0.65 CHRNB4 (0.67) HIF1AALDH1A1CHRNB4CHRNA3TSHR
SCHEMBL31220888 0.65 TSHR (0.56) HIF1AALDH1A1CHRNB4CHRNA3TSHR

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
EP-2081884-B1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2013-05-22 EP disclosed
US-20100145100-A1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2010-06-10 US disclosed
EP-2081884-A1 PROCESS FOR THE PREPARATION OF AMINES Syngeta Participations AG (CH) 2009-07-29 EP disclosed
WO-2008037460-A1 PROCESS FOR THE PREPARATION OF AMINES. SYNGENTA PARTICIPATIONS AG (CH) 2008-04-03 WO 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-20100145100-A1 PROCESS FOR THE PREPARATION OF AMINES SNCA, SYNJ1, PARK7 HIF1A 1424/4885ALDH1A1 1570/4885CHRNB4 742/4885

“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.