SCHEMBL7262501

SCHEMBL7262501

CCOC(=O)COCCc1cc(C(=O)O)ccc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PLA2G2D Q9UNK4 1/20 0.39
▸ LTB4R Q15722 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ CFD P00746 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL7262515 0.85 AKT1 (0.36) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL4285044 0.85 TSHR (0.54) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL7263698 0.83 CA12 (0.42) KDM4EGAAPOLBHRH3
SCHEMBL9165101 0.79 TSHR (0.63) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL9082145 0.70 HRH3 (0.44) TSHRPLA2G2DHRH3SMN1; SMN2PKM
SCHEMBL10827946 0.70 TSHR (0.61) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL7263061 0.69 PTGER4 (0.37) TSHRKDM4EALDH1A1RAB9APLA2G2D
SCHEMBL10349690 0.69 TSHR (0.75) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL8862146 0.69 HCAR3 (0.46) TSHRKDM4EPLA2G2DLTB4RPOLB
SCHEMBL31702789 0.69 HCAR3 (0.46) TSHRKDM4EPLA2G2DLTB4RPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 — — US disclosed
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 — — EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 — — 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-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 TSHR 3173/4885KDM4E 1551/4885ALDH1A1 589/4885

“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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