SCHEMBL24549652

SCHEMBL24549652

O=[N+]([O-])c1c(C2(O)CCCCC2)cccc1C1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GPR35 Q9HC97 2/20 0.38
PGR P06401 2/20 0.35
TSHR P16473 2/20 0.34
S100A4 P26447 1/20 0.34
MEN1 O00255 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
BCHE P06276 1/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC4 P56524 1/20 0.33

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
SCHEMBL632435 0.81 LMNA (0.43) TDP1ALDH1A1GPR35TSHRMEN1
SCHEMBL24549944 0.75 AKR1C1 (0.40) TDP1ALDH1A1PGRMEN1CYP2C9
SCHEMBL29484741 0.70 MEN1 (0.41) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL17733195 0.70 MEN1 (0.41) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6058582 0.70 MEN1 (0.41) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6644154 0.69 ATM (0.49) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL28656305 0.68 ALDH1A1 (0.43) TDP1ALDH1A1MEN1CYP2C9CYP2C19
SCHEMBL15352660 0.68 ALDH1A1 (0.42) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL24549554 0.68 NPC1 (0.35) TDP1ALDH1A1GPR35TSHRS100A4
SCHEMBL25989669 0.67 ALDH1A1 (0.42) TDP1ALDH1A1PGRMEN1CYP2C9

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-20220199918-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-23 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-20220199918-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, SLC39A14, SLC39A7 TDP1 2552/4885ALDH1A1 874/4885GPR35 4497/4885

“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.