SCHEMBL5686791

SCHEMBL5686791

c1ccc(OCCCCC2CO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
KCNA3 P22001 2/20 0.59
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TAAR1 Q96RJ0 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HTR1A P08908 2/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL28047887 0.98 TDP1 (0.59) TDP1KCNA3MEN1KMT2ATAAR1
SCHEMBL26606320 0.98 TDP1 (0.59) TDP1KCNA3MEN1KMT2ATAAR1
SCHEMBL3626061 0.94 TDP1 (0.63) TDP1KCNA3MEN1KMT2ATAAR1
SCHEMBL3619067 0.89 TDP1 (0.66) TDP1KCNA3MEN1KMT2ATAAR1
SCHEMBL8541225 0.86 MGLL (0.50) TDP1MEN1KMT2AHDAC6ALDH1A1
SCHEMBL2718081 0.85 HRH3 (0.44) TDP1KCNA3MEN1KMT2AHDAC3
SCHEMBL2833284 0.85 HRH3 (0.44) TDP1KCNA3MEN1KMT2AHDAC3
SCHEMBL4290974 0.84 KCNA3 (0.53) TDP1KCNA3TAAR1HDAC3HDAC4
SCHEMBL1133426 0.84 KCNA3 (0.53) TDP1KCNA3TAAR1HDAC3HDAC4
SCHEMBL2720688 0.84 HRH3 (0.42) TDP1MEN1KMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188743-B2 Cytisine-linked isoflavonoid antineoplastic agents for the treatment of cancer UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-01-29 US disclosed
US-20180344862-A1 CYTISINE-LINKED ISOFLAVONOID ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-12-06 US disclosed
CN-105246940-B Optical semiconductor sealing solidification compound 株式会社大赛璐 2018-09-04 CN disclosed
CN-105246940-A Curable composition for sealing optical semiconductor DAICEL CORP 2016-01-13 CN disclosed
EP-1636209-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT Sumitomo Chemical Company, Limited (JP) 2006-03-22 EP disclosed
WO-2004113327-A1 EPOXY COMPOUND AND CURED EPOXY RESIN PRODUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-29 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 (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-10188743-B2 Cytisine-linked isoflavonoid antineoplastic agents for the treatment of cancer HSD17B4, CYP27A1, SLC25A17 TDP1 2290/4885KCNA3 4873/4885MEN1 3117/4885
US-20180344862-A1 CYTISINE-LINKED ISOFLAVONOID ANTINEOPLASTIC AGENTS FOR THE TREATMENT OF CANCER HSD17B4, CYP27A1, SLC25A17 TDP1 2290/4885KCNA3 4873/4885MEN1 3117/4885

“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.