SCHEMBL18301586

SCHEMBL18301586

C=C(C)C(=O)OCCCCCCOc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 4/20 0.56
▸ ATP4B P51164 4/20 0.56
▸ POLB P06746 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ MAPT P10636 4/20 0.51

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
SCHEMBL5831979 0.83 MIF (0.56) TDP1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12545668 0.82 RAB9A (0.59) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL12545473 0.82 RAB9A (0.60) TDP1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5832578 0.81 POLB (0.47) ATP4AATP4BPOLBAPEX1HTT
SCHEMBL19229535 0.81 ATP4A (0.78) ATP4AATP4BSMN1; SMN2KDM4ENPC1
SCHEMBL5946741 0.81 ATP4A (0.78) ATP4AATP4BSMN1; SMN2KDM4ENPC1
SCHEMBL5831358 0.81 ATP4A (0.78) ATP4AATP4BSMN1; SMN2KDM4ENPC1
SCHEMBL29316005 0.79 POLB (0.72) POLBAPEX1HTTTDP1TSHR
SCHEMBL15462904 0.79 ATP4A (0.83) ATP4AATP4BTDP1SMN1; SMN2KDM4E
SCHEMBL29316003 0.79 POLB (0.72) POLBAPEX1HTTTDP1TSHR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307798-B2 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL INC (US) 2024-06-05 — — EP disclosed
CN-107743594-B Alignment polymers 光学转变公司 2022-07-01 — — CN disclosed
CN-107743485-B Alignment compound 光学转变公司 2021-10-22 — — CN disclosed
EP-3307797-B1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL INC (US) 2021-10-20 — — EP disclosed
EP-3307797-B1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL INC (US) 2021-10-20 — — EP disclosed
US-11130912-B2 Alignment polymers TRANSITIONS OPTICAL, INC. (US) 2021-09-28 — — US disclosed
US-11130912-B2 Alignment polymers TRANSITIONS OPTICAL, INC. (US) 2021-09-28 — — US disclosed
US-10875833-B2 Alignment compounds TRANSITIONS OPTICAL, INC. (US) 2020-12-29 — — US disclosed
US-10875833-B2 Alignment compounds TRANSITIONS OPTICAL, INC. (US) 2020-12-29 — — US disclosed
EP-3307798-B1 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL INC (US) 2020-08-05 — — EP disclosed
US-20180127653-A1 Alignment Polymers TRANSITIONS OPTICAL, INC. 2018-05-10 — — US disclosed
EP-3307797-A1 ALIGNMENT POLYMERS Transitions Optical, Inc. (US) 2018-04-18 — — EP disclosed
EP-3307798-A1 ALIGNMENT COMPOUNDS Transitions Optical, Inc. (US) 2018-04-18 — — EP disclosed
US-20180086725-A1 Alignment Compounds TRANSITIONS OPTICAL, INC. 2018-03-29 — — US disclosed
US-20180086725-A1 Alignment Compounds TRANSITIONS OPTICAL, INC. 2018-03-29 — — US disclosed
US-20180086725-A1 Alignment Compounds TRANSITIONS OPTICAL, INC. 2018-03-29 — — US disclosed
WO-2016200401-A1 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-12-15 — — WO disclosed
WO-2016200401-A1 ALIGNMENT COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2016-12-15 — — WO disclosed
WO-2016200394-A1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL, INC. (US) 2016-12-15 — — WO disclosed
WO-2016200394-A1 ALIGNMENT POLYMERS TRANSITIONS OPTICAL, INC. (US) 2016-12-15 — — 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 (2 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-10875833-B2 Alignment compounds CYP19A1, ESR1, CCNE2 ATP4A 3905/4885ATP4B 3789/4885POLB 1750/4885
US-20180086725-A1 Alignment Compounds CYP19A1, ESR1, CCNE2 ATP4A 3905/4885ATP4B 3789/4885POLB 1750/4885

“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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