SCHEMBL17663659

SCHEMBL17663659

CCC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ PPARG P37231 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ NCOR2 Q9Y618 1/20 0.60
▸ FPR2 P25090 4/20 0.53
▸ TGM2 P21980 1/20 0.53
▸ CHRM1 P11229 1/20 0.48
▸ TLR7 Q9NYK1 1/20 0.45
▸ AVPR2 P30518 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ P2RY6 Q15077 1/20 0.42
▸ NPY4R P50391 3/20 0.42
▸ ABCB1 P08183 1/20 0.40

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
Rhodamine B SCHEMBL10000882 0.92 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.92 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.92 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL30207638 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL20078093 0.91 MEN1 (0.63) MEN1BLMKMT2AUSP2POLB
SCHEMBL12724913 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL17552990 0.91 MEN1 (0.63) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL18617 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL29354092 0.91 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
SCHEMBL13043464 0.90 MEN1 (0.56) MEN1BLMKMT2AUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 — — US disclosed
WO-2016050208-A1 BIO-RELATED SUBSTANCE MODIFIED BY MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE 厦门赛诺邦格生物科技有限公司 2016-04-07 — — WO 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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 MEN1 1056/4885BLM 2264/4885KMT2A 3974/4885

“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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