SCHEMBL767768

SCHEMBL767768

B[C@@H]1O[C@H](COC)C(OC)[C@@H]1OCC(=O)NCCOCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ACHE P22303 4/20 0.35
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30

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
SCHEMBL767567 0.83 HRH3 (0.33) ALDH1A1KMT2AKDM4EHRH3
SCHEMBL767774 0.80 NPC1 (0.33) —
SCHEMBL767638 0.80 BCHE (0.34) ACHEBCHE
SCHEMBL767517 0.75 HPGD (0.36) ALDH1A1KMT2A
SCHEMBL767637 0.75 HSD11B1 (0.38) —
SCHEMBL767515 0.74 KDM4E (0.36) TDP1ALDH1A1KDM4E
SCHEMBL19500418 0.72 TSHR (0.38) ALDH1A1KMT2A
SCHEMBL767618 0.71 NPC1 (0.30) —
SCHEMBL767748 0.71 GAA (0.32) TDP1
SCHEMBL767666 0.70 SYK (0.35) TDP1ALDH1A1ATMHRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160348110-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS INC (US) 2016-12-01 — — US disclosed
US-9453043-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2016-09-27 — — US disclosed
US-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-07-30 — — US disclosed
US-8975389-B2 Nucleic acid chemical modifications ALNYLAM PHARMACEUTICALS, INC. (US) 2015-03-10 — — US disclosed
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-22 — — 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-20150210733-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 TDP1 603/4885ALDH1A1 1390/4885ACHE 4765/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 TDP1 615/4885ALDH1A1 1352/4885ACHE 4778/4885

“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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