SCHEMBL19985653

SCHEMBL19985653

O=C(O)C1=C(C(=O)OCc2ccccc2)c2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 2/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL19985654 0.89 ALDH1A1 (0.49) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL19985655 0.79 TDP1 (0.46) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL27986175 0.74 ALDH1A1 (0.55) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL9658266 0.72 TDP1 (0.66) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL8833118 0.72 TDP1 (0.56) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL13394342 0.72 SRD5A2 (0.40) ALDH1A1TDP1KMT2ALMNAMAPT
Fluorene SCHEMBL27790619 0.71 HCAR2 (0.51) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL19831699 0.71 TDP1 (0.63) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
Fluorene SCHEMBL27768970 0.71 HCAR2 (0.50) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL11107021 0.70 SRD5A2 (0.44) ALDH1A1SLC6A2RAB9AMAPTSMN1; SMN2

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 ALDH1A1 1060/4885TDP1 2397/4885KMT2A 3431/4885

“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.