SCHEMBL20281028

SCHEMBL20281028

CC(=O)OCC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TACR2 P21452 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ PDPK1 O15530 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ SSTR1 P30872 1/20 0.42
▸ SSTR2 P30874 1/20 0.42
▸ SSTR4 P31391 1/20 0.42
▸ SSTR3 P32745 1/20 0.42
▸ SSTR5 P35346 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL24378390 1.00 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL27300740 1.00 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL12308089 0.92 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL19976435 0.91 TSHR (0.62) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL19976470 0.91 TSHR (0.59) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL10148601 0.91 TSHR (0.59) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL19976436 0.91 TSHR (0.59) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL18392677 0.89 TSHR (0.47) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL3136372 0.87 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL20870237 0.87 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708387-B2 Hexose derivatives, preparation and uses thereof FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-07-25 — — US disclosed
US-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-16 — — US disclosed
US-20190216895-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF LAUREN SCIENCES LLC (US) 2019-07-18 — — US disclosed
US-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2018-06-21 — — 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 (4 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-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE DDOST, SI, CD4 TSHR 3529/4885ALDH1A1 3748/4885LMNA 4672/4885
US-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 TSHR 1293/4885ALDH1A1 857/4885LMNA 3078/4885
US-20190216895-A1 BOLAAMPHIPHILIC COMPOUNDS, COMPOSITIONS AND USES THEREOF GFRA2, GFRA1, NGF TSHR 2965/4885ALDH1A1 133/4885LMNA 3556/4885
US-11708387-B2 Hexose derivatives, preparation and uses thereof HK1, SLC5A1, HK2 TSHR 1293/4885ALDH1A1 857/4885LMNA 3078/4885

“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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