SCHEMBL18643850

SCHEMBL18643850

CC(=O)OCCCCCOC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.79
▸ LMNA P02545 3/20 0.62
▸ TSHR P16473 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAPK1 P28482 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTGS2 P35354 1/20 0.49
▸ CNR2 P34972 1/20 0.49

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
SCHEMBL27713796 0.95 TDP1 (0.75) TDP1LMNATSHRALDH1A1MAPK1
SCHEMBL3958327 0.91 LMNA (0.69) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL11896235 0.91 TDP1 (0.96) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL223238 0.91 TDP1 (0.96) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL11896606 0.91 TDP1 (0.96) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL2069111 0.91 TDP1 (0.96) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL225815 0.91 TDP1 (0.96) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL17466182 0.91 TDP1 (0.96) TDP1LMNATSHRALDH1A1NPC1
Ammonia Solution, Strong SCHEMBL2530225 0.89 TDP1 (0.92) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL223441 0.89 TDP1 (1.00) TDP1LMNATSHRALDH1A1MAPK1

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-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 — — US disclosed
EP-2727947-B1 COPOLYMER, AND LIQUID CRYSTAL ALIGNMENT LAYER COMPRISING HARDENED PRODUCT THEREOF DAINIPPON INK & CHEMICALS (JP) 2017-03-15 — — 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 (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-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB TDP1 2445/4885LMNA 4173/4885TSHR 4806/4885

“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.

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