SCHEMBL866513

SCHEMBL866513

CC(C)C(OC(=O)OC(C(C)C)C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CTSK P43235 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SLC7A5 Q01650 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6898164 0.91 TSHR (0.46) TSHRCTSK
SCHEMBL10888560 0.88 TSHR (0.35) TSHRCTSK
SCHEMBL6897487 0.88 SMN1; SMN2 (0.40) TSHRCTSKSMN1; SMN2MMP1MMP2
SCHEMBL10663450 0.87 TSHR (0.31) TSHRCTSK
SCHEMBL10665569 0.87 TSHR (0.31) TSHRCTSK
SCHEMBL10343946 0.85 TSHR (0.46) TSHR
SCHEMBL18856289 0.84
SCHEMBL20834246 0.83 CYP19A1 (0.37) TSHRCTSKMMP1MMP2MMP3
SCHEMBL6898201 0.83 CTSK (0.35) CTSK
SCHEMBL6896798 0.83 CTSK (0.35) TSHRCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2024-03-07 US disclosed
US-11773219-B2 Functionalized polymers QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-03 US disclosed
US-20230285574-A1 CONJUGATES OF BIOLOGICALLY ACTIVE MOLECULES TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2023-09-14 US disclosed
US-11723981-B2 Conjugates of tumor necrosis factor inhibitors to functionalized polymers QUIAPEG PHARMACEUTICALS AB (SE) 2023-08-15 US disclosed
US-20230022913-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2023-01-26 US disclosed
US-11510989-B2 Conjugates of biologically active molecules to functionalized polymers QUIAPEG PHARMACEUTICALS AB (SE) 2022-11-29 US disclosed
US-11382984-B2 Conjugates of tumor necrosis factor inhibitors to functionalized polymers QUIAPEG PHARMACEUTICALS AB (SE) 2022-07-12 US disclosed
US-20220031856-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS FISH & RICHARDSON PC 2022-02-03 US disclosed
WO-2004011458-A1 TOTAL SYNTHESIS OF MYRIAPORONES PHARMA MAR, S.A.U. (ES) 2004-02-05 WO disclosed
EP-1289999-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2003-03-12 EP disclosed
EP-1287004-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCIDIN COMPOUND PHARMA MAR, S.A. (ES) 2003-03-05 EP disclosed
EP-1280809-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2003-02-05 EP disclosed
EP-1185536-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2002-03-13 EP disclosed
WO-2001087894-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2001-11-22 WO disclosed
WO-2001087895-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF AN ECTEINASCHIDIN COMPOUND PHARMA MAR, S.A. (ES) 2001-11-22 WO disclosed
WO-2001077115-A1 ANTITUMORAL ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2001-10-18 WO disclosed
WO-2000069862-A2 HEMISYNTHETIC METHOD AND INTERMEDIATES THEREOF PHARMA MAR, S.A. (ES) 2000-11-23 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 (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-20230285574-A1 CONJUGATES OF BIOLOGICALLY ACTIVE MOLECULES TO FUNCTIONALIZED POLYMERS CD44, EPCAM, ALG1 TSHR 2212/4885CTSK 608/4885SMN1; SMN2 3080/4885
US-20230022913-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885CTSK 1316/4885SMN1; SMN2 4091/4885
US-11723981-B2 Conjugates of tumor necrosis factor inhibitors to functionalized polymers TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885CTSK 1316/4885SMN1; SMN2 4091/4885
US-11773219-B2 Functionalized polymers PARG, PUF60, PCBP1 TSHR 3799/4885CTSK 3474/4885SMN1; SMN2 2062/4885
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885CTSK 1316/4885SMN1; SMN2 4091/4885
US-11510989-B2 Conjugates of biologically active molecules to functionalized polymers CD44, EPCAM, ALG1 TSHR 2212/4885CTSK 608/4885SMN1; SMN2 3080/4885
US-11382984-B2 Conjugates of tumor necrosis factor inhibitors to functionalized polymers TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885CTSK 1316/4885SMN1; SMN2 4091/4885
US-20220031856-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885CTSK 1316/4885SMN1; SMN2 4091/4885

“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.