SCHEMBL19985655

SCHEMBL19985655

N#CC1=C(C(=O)OCc2ccccc2)c2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALDH1A1 P00352 7/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.39
HTT P42858 1/20 0.39
NOTUM Q6P988 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
SCHEMBL19985653 0.79 ALDH1A1 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL19985654 0.77 ALDH1A1 (0.49) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL27986175 0.71 ALDH1A1 (0.55) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL7695725 0.69 ALDH1A1 (0.56) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL9658266 0.69 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL23520450 0.68 ALDH1A1 (0.63) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL17769820 0.68 KMT2A (0.69) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL16127330 0.68 ALDH1A1 (0.63) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
Fluorene SCHEMBL27768970 0.68 HCAR2 (0.50) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL28877606 0.67 KMT2A (0.67) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 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-20180079748-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE TDP1 2397/4885KMT2A 3431/4885SLC6A2 786/4885

“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.