SCHEMBL767690

SCHEMBL767690

B[C@@H]1O[C@H](COC)C(OC)[C@@H]1OCCNCCNCCN1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM1A O60341 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL767511 0.90 KDM1A (0.31) KDM1A
SCHEMBL767666 0.87 SYK (0.35) TDP1CYP2D6POLBALDH1A1CYP1A2
SCHEMBL767688 0.86 SYK (0.34) TDP1CYP2D6POLBALDH1A1CYP1A2
SCHEMBL767755 0.85 TDP1 (0.39) TDP1POLBALDH1A1CYP1A2LMNA
SCHEMBL767568 0.81 TDP1 (0.30) TDP1
SCHEMBL767539 0.78 — —
SCHEMBL767673 0.78 HSD11B1 (0.32) —
SCHEMBL767618 0.77 NPC1 (0.30) —
SCHEMBL767774 0.77 NPC1 (0.33) POLB
SCHEMBL767638 0.76 BCHE (0.34) —

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 603/4885KDM1A 3171/4885CYP2D6 4117/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 TDP1 615/4885KDM1A 3021/4885CYP2D6 4144/4885

“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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