SCHEMBL30007256

SCHEMBL30007256

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
FFAR1 O14842 1/20 0.36
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 4/20 0.32
MAPT P10636 4/20 0.32
GMNN O75496 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MEN1 O00255 2/20 0.32
HSP90AA1 P07900 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 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
SCHEMBL13827905 1.00 MMP12 (0.38) MMP12FFAR1CACNA2D1CACNB3CACNA1C
Hydrochloric Acid SCHEMBL30537964 0.98 MMP12 (0.37) MMP12FFAR1CACNA2D1CACNB3CACNA1C
SCHEMBL20375825 0.82
SCHEMBL18331068 0.81 CACNA2D1 (0.52) MMP12CACNA2D1CACNB3CACNA1CPGR
SCHEMBL27468226 0.81
SCHEMBL28068435 0.81 MMP12 (0.43) MMP12LMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL25517 0.81
SCHEMBL17297224 0.79 MGAM (0.39) LMNACYP1A2TSHR
Ammonia Solution, Strong SCHEMBL22607979 0.79 MMP12 (0.42) MMP12LMNASMN1; SMN2CYP1A2MAPK1
SCHEMBL4199095 0.78 ALDH1A1 (0.34) FFAR1CACNA2D1CACNB3CACNA1CPGR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113416229-B Cytotoxic and antimitotic compounds and methods of use thereof 酵活英属哥伦比亚有限公司 2024-12-13 CN disclosed
CN-118742329-A Pharmaceutical compositions comprising anti-tissue factor antibody-drug conjugates 埃克塞里艾克西斯公司 2024-10-01 CN disclosed
CN-118541378-A Novel auristatin analogues and immunoconjugates thereof 艾德森特克斯治疗股份有限公司 2024-08-23 CN disclosed
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN disclosed
CN-116615252-A anti-CD 48 antibodies, antibody drug conjugates and uses thereof 诺华股份有限公司 2023-08-18 CN disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
CN-109963835-B Preparation method of neotoxin and intermediate thereof 江苏恒瑞医药股份有限公司 2022-10-21 CN 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-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 MMP12 1743/4885FFAR1 3679/4885CACNA2D1 3302/4885

“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.