SCHEMBL3978798

SCHEMBL3978798

C=COCCCCOS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
MMP9 P14780 1/20 0.65
ALOX15 P16050 1/20 0.65
CA1 P00915 16/20 0.36
CA2 P00918 16/20 0.36
CA9 Q16790 15/20 0.36
CA12 O43570 5/20 0.34
CA7 P43166 5/20 0.34
CA14 Q9ULX7 5/20 0.34
CA3 P07451 4/20 0.34
CA4 P22748 4/20 0.34
CA6 P23280 4/20 0.34
CA5A P35218 4/20 0.34
CA5B Q9Y2D0 4/20 0.34
CDC25A P30304 1/20 0.33
RECQL P46063 2/20 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
SCHEMBL3982470 0.98 TSHR (0.62) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1118647 0.96 USP2 (0.58) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL3979004 0.86 USP2 (0.50) TSHRKDM4EUSP2ALDH1A1LMNA
Busulfan SCHEMBL4373 0.81 TSHR (1.00) TSHRKDM4EUSP2ALDH1A1LMNA
Busulfan SCHEMBL4764696 0.81 TSHR (1.00) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL2166634 0.80 TSHR (0.68) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1606138 0.78 TSHR (0.65) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4952202 0.78 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
Busulfan SCHEMBL7195165 0.78 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL4954793 0.78 TSHR (0.94) TSHRKDM4EUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3608308-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2021-07-21 EP disclosed
CN-107879960-B Lipids and lipid compositions for delivery of active ingredients 诺华股份有限公司 2021-06-22 CN disclosed
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-10-06 US disclosed
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-10-06 US disclosed
US-10729775-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2020-08-04 US disclosed
EP-3608308-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS Novartis AG (CH) 2020-02-12 EP disclosed
EP-2964608-B1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2019-08-28 EP disclosed
US-10230121-B2 Copolymers comprising crosslinkable protogenic groups which can be used to constitute fuel cell membranes COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-03-12 US disclosed
US-20180369386-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-12-27 US disclosed
US-10124065-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2018-11-13 US disclosed
US-7371493-B2 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-13 US disclosed
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 US disclosed
US-7351508-B2 Organophotoreceptors with a charge transport material having multiple vinyl-containing hydrazone groups SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-01 US disclosed
US-7344811-B2 Polysilane-based charge transport materials SAMSUNG ELECTRONIC CO., LTD. (KR) 2008-03-18 US disclosed
US-20060210897-A1 Charge transport materials having at least a metallocene group S-PRINTING SOLUTION CO., LTD. (KR) 2006-09-21 US disclosed
US-20060204875-A1 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group S-PRINTING SOLUTION CO., LTD. (KR) 2006-09-14 US disclosed
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group S-PRINTING SOLUTION CO., LTD. (KR) 2006-08-10 US disclosed
US-20060166118-A1 Heterocycle-hydrazone based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-07-27 US disclosed
US-20060093933-A1 Polysilane-based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-05-04 US disclosed
US-20060078351-A1 Organophotoreceptors with a charge transport material having multiple vinyl-containing hydrazone groups S-PRINTING SOLUTION CO., LTD. (KR) 2006-04-13 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 (8 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-20060166118-A1 Heterocycle-hydrazone based charge transport materials AQP1, SLC9B2, SLC9A2 TSHR 1662/4885KDM4E 2960/4885USP2 4818/4885
US-10124065-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 TSHR 1112/4885KDM4E 2406/4885USP2 4628/4885
US-20180369386-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 TSHR 1112/4885KDM4E 2406/4885USP2 4628/4885
US-20060204875-A1 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group TSPO, SLC43A1, LMNB2 TSHR 4024/4885KDM4E 488/4885USP2 4493/4885
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 TSHR 3280/4885KDM4E 3676/4885USP2 4837/4885
US-10792361-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 TSHR 1112/4885KDM4E 2406/4885USP2 4628/4885
US-10729775-B2 Lipids and lipid compositions for the delivery of active agents LIPA, LPAR1, LPAR4 TSHR 1112/4885KDM4E 2406/4885USP2 4628/4885
US-20060078351-A1 Organophotoreceptors with a charge transport material having multiple vinyl-containing hydrazone groups SLC16A7, SLC16A1, SLC16A3 TSHR 1823/4885KDM4E 2185/4885USP2 4676/4885

“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.