SCHEMBL26823237

SCHEMBL26823237

CC[C@@]1(C#N)O[C@@H](c2ccc3c(/N=C\N(C)C)ncnn23)[C@H](O)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ POLRMT O00411 1/20 0.33
▸ USP2 O75604 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RCE1 Q9Y256 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
SCHEMBL26823251 0.93 KDM4E (0.35) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL26823228 0.88 POLRMT (0.31) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL25390850 0.86 POLRMT (0.34) POLRMT
SCHEMBL25390839 0.86 POLRMT (0.34) POLRMT
SCHEMBL31430674 0.86 POLRMT (0.34) POLRMT
SCHEMBL25392971 0.84 POLRMT (0.33) POLRMT
SCHEMBL25392979 0.84 POLRMT (0.33) POLRMT
SCHEMBL31430687 0.83 KDM4E (0.32) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL25393033 0.80 KDM4E (0.31) KDM4EALDH1A1HTTCYP1A2CYP3A4
SCHEMBL31216436 0.79 POLRMT (0.32) POLRMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-11-30 — — 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 (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-20230382940-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME EIF2AK2, MAVS, ZC3HAV1 KDM4E 3022/4885ALDH1A1 3135/4885HTT 1802/4885

“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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