SCHEMBL22349912

SCHEMBL22349912

O=C(O)CCOCCOCCOCCOCCNC(=O)CNC(=O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ PKM P14618 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ ALOX15 P16050 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ PPARD Q03181 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL7373683 0.78 RECQL (0.63) TSHRRECQLCYP1A2CYP2C9CYP2C19
SCHEMBL7821754 0.77 ALOX15 (0.68) CYP1A2CYP2C9CYP2C19NPC1USP2
SCHEMBL20519910 0.77 KMT2A (0.52) TSHRRECQLNPC1KDM4EKMT2A
SCHEMBL18703877 0.77 KMT2A (0.52) TSHRRECQLNPC1KDM4EKMT2A
SCHEMBL17841845 0.76 LMNA (0.68) KMT2AMEN1MAPT
SCHEMBL5638782 0.75 PKM (0.56) RECQLCYP1A2CYP2C9CYP2C19PKM
SCHEMBL12223524 0.75 PKM (0.56) RECQLCYP1A2CYP2C9CYP2C19PKM
SCHEMBL5654598 0.75 ITGB3 (0.70) TSHRRECQLCYP1A2CYP2C9CYP2C19
SCHEMBL5762931 0.75 ITGB3 (0.70) TSHRRECQLCYP1A2CYP2C9CYP2C19
SCHEMBL23169829 0.75 KDM4E (0.51) TSHRRECQLCYP1A2CYP2C9CYP2C19

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-10744205-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with anti-CD123-antibodies BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-18 — — 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-10744205-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with anti-CD123-antibodies KIF23, KIF2C, KIF18A TSHR 3684/4885RECQL 3754/4885CYP1A2 4567/4885

“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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