SCHEMBL767688

SCHEMBL767688

B[C@@H]1O[C@H](COC)C(OC)[C@@H]1OCCN1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ USP2 O75604 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
SCHEMBL767666 0.99 SYK (0.35) SYKTDP1SIGMAR1MAPK1HRH3
SCHEMBL767539 0.91 — —
SCHEMBL767673 0.91 HSD11B1 (0.32) —
SCHEMBL767618 0.90 NPC1 (0.30) —
SCHEMBL767568 0.87 TDP1 (0.30) TDP1
SCHEMBL767774 0.87 NPC1 (0.33) POLB
SCHEMBL767690 0.86 TDP1 (0.37) TDP1POLBCYP2D6ALDH1A1CYP1A2
SCHEMBL767677 0.85 PIM1 (0.31) —
SCHEMBL767562 0.83 L3MBTL1 (0.35) TDP1HRH3POLBTSHRALDH1A1
SCHEMBL767515 0.83 KDM4E (0.36) TDP1ALDH1A1

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 SYK 4352/4885TDP1 603/4885SIGMAR1 2973/4885
US-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 SYK 4365/4885TDP1 615/4885SIGMAR1 2953/4885

“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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