SCHEMBL19679617

SCHEMBL19679617

CCC1O[C@H]2CC(O)[C@@H]1OOC(C)[C@H](C(O)[C@@H](C)O)O[C@@H]1OC(CO)[C@@H](O[C@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@@H](O[C@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@@H](O[C@@H]7CC(O)[C@H](O2)C(CO)O7)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C1O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TXNRD1 Q16881 3/20 0.34
▸ TXNRD3 Q86VQ6 3/20 0.34
▸ TXNRD2 Q9NNW7 3/20 0.34
▸ FYN P06241 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SLC6A3 Q01959 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
SCHEMBL19679616 0.81 ALDH1A1 (0.50) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL19677583 0.81 ALDH1A1 (0.50) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL15144336 0.76 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL16806476 0.76 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL17831052 0.76 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL25029916 0.76 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL23384635 0.76 ALDH1A1 (0.67) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL12450530 0.74 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL21371726 0.74 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1TXNRD1
SCHEMBL25726864 0.74 ALDH1A1 (0.56) ALDH1A1TSHRLMNATDP1TXNRD1

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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS NANOPHARMACEUTICALS, LLC 2017-12-07 — — 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-20170348425-A1 NON-CLEAVABLE POLYMER CONJUGATED WITH ALPHA V BETA 3 INTEGRIN THYROID ANTAGONISTS THRA, CD44, ITGAV ALDH1A1 1334/4885TSHR 6/4885LMNA 2524/4885

“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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