SCHEMBL18635979

SCHEMBL18635979

CCCCCCC(CCCCCC)c1cnccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1I2 O75469 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NAAA Q02083 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL18855230 1.00 TDP1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL18922358 0.87 TDP1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL18879385 0.87 TDP1 (0.34) TDP1L3MBTL1NR1I2KCNA5KCNH2
SCHEMBL18922343 0.87 TDP1 (0.38) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL19261329 0.85 TDP1 (0.37) TDP1L3MBTL1KCNA5KCNH2LMNA
SCHEMBL19133214 0.85 TDP1 (0.37) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL20626584 0.85 TDP1 (0.39) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL19176519 0.81 TDP1 (0.36) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1
SCHEMBL26169677 0.81 CYSLTR2 (0.36) TDP1L3MBTL1CYSLTR2CYSLTR1KCNA5
SCHEMBL18737292 0.81 TDP1 (0.36) TDP1L3MBTL1NR1I2CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023536-B2 Suprametallogels and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-17 US disclosed
US-20170073311-A1 SUPRAMETALLOGELS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-03-16 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 (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-10023536-B2 Suprametallogels and uses thereof PDCD1LG2, PDCD2L, PYGL TDP1 2137/4885L3MBTL1 513/4885NR1I2 2161/4885
US-20170073311-A1 SUPRAMETALLOGELS AND USES THEREOF PDCD1LG2, PDCD2L, PYGL TDP1 2137/4885L3MBTL1 513/4885NR1I2 2161/4885

“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.