SCHEMBL19909258

SCHEMBL19909258

CCCCCCCc1cncc(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 4/20 0.46
CYP3A4 P08684 2/20 0.42
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41
HSPE1 P61604 1/20 0.41

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
SCHEMBL20937692 1.00 TDP1 (0.50) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL19909082 1.00 TDP1 (0.50) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL19909213 0.98 TDP1 (0.52) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL9921224 0.92 TDP1 (0.44) TDP1L3MBTL1CYP3A4TP53
SCHEMBL4410512 0.92 NOS1 (0.42) TDP1L3MBTL1CYP3A4
Formic Acid SCHEMBL28260239 0.90 TDP1 (0.42) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL27563659 0.88 TDP1 (0.57) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL27733869 0.86 TDP1 (0.59) TDP1L3MBTL1PTGS2CYP3A4ESR1
SCHEMBL4289948 0.84 TKT (0.44) CYP3A4
Hydrochloric Acid SCHEMBL28015977 0.84 TDP1 (0.57) TDP1L3MBTL1PTGS2CYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10888563-B2 Fused heterotricyclic organic compounds, pharmaceutical compositions, and medical uses thereof ALEVERE MEDICAL CORPORATION (US) 2021-01-12 US disclosed
US-20190117656-A1 FUSED HETEROTRICYCLIC ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ALEVERE MEDICAL CORPORATION 2019-04-25 US disclosed
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP 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-20190117656-A1 FUSED HETEROTRICYCLIC ORGANIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF FABP4, HSD17B4, LIPC TDP1 1153/4885L3MBTL1 4837/4885PTGS2 1093/4885
US-10888563-B2 Fused heterotricyclic organic compounds, pharmaceutical compositions, and medical uses thereof FABP4, HSD17B4, LIPC TDP1 1153/4885L3MBTL1 4837/4885PTGS2 1093/4885

“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.