SCHEMBL866514

SCHEMBL866514

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CTSK P43235 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL27924495 0.94 TSHR (0.36) TSHRTP53SLC7A5MMP1MMP2
SCHEMBL866513 0.78 TSHR (0.38) TSHRTP53SLC7A5MMP1MMP2
SCHEMBL19359798 0.75
SCHEMBL222174 0.75
SCHEMBL5377017 0.75 TSHR (0.58) TSHRCTSKSMN1; SMN2
SCHEMBL1936262 0.73 TSHR (0.40) TSHRTP53SLC7A5MMP1MMP2
SCHEMBL4367765 0.73 TSHR (0.40) TSHRTP53SLC7A5MMP1MMP2
SCHEMBL36671 0.73
SCHEMBL3262366 0.73 LMNA (0.44) TSHRSLC7A5HCAR2CTSK
Ammonia Solution, Strong SCHEMBL2277693 0.73 TSHR (0.35) TSHRTP53SLC7A5MMP1MMP2

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 152 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
JP-1100176-A None JP disclosed
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
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
JP-H01100176-A NOVEL BICYCLIC COMPOUND TOUBISHI YAKUHIN KOGYO KK 1989-04-18 JP 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 (7 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 2212/4885TP53 135/4885SLC7A5 1883/4885
US-20230022913-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885TP53 22/4885SLC7A5 2218/4885
US-11723981-B2 Conjugates of tumor necrosis factor inhibitors to functionalized polymers TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885TP53 22/4885SLC7A5 2218/4885
US-11773219-B2 Functionalized polymers PARG, PUF60, PCBP1 TSHR 3799/4885TP53 329/4885SLC7A5 2430/4885
US-20240075151-A1 CONJUGATES OF TUMOR NECROSIS FACTOR INHIBITORS TO FUNCTIONALIZED POLYMERS TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885TP53 22/4885SLC7A5 2218/4885
US-11510989-B2 Conjugates of biologically active molecules to functionalized polymers CD44, EPCAM, ALG1 TSHR 2212/4885TP53 135/4885SLC7A5 1883/4885
US-11382984-B2 Conjugates of tumor necrosis factor inhibitors to functionalized polymers TNF, TNFRSF1A, TNFSF11 TSHR 1780/4885TP53 22/4885SLC7A5 2218/4885

“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.