SCHEMBL6867004

SCHEMBL6867004

CCC(CC)CC(C)OC(=O)c1ccc(C#Cc2ccc(C#Cc3ccc(C(=O)OC(C)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41
MMP26 Q9NRE1 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
FFAR1 O14842 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6865284 0.89 TSHR (0.43) MMP2MMP9MMP12MMP14MMP15
SCHEMBL6547138 0.85 PDCD1 (0.50) HCAR2PDCD1CD274ESR1ESR2
SCHEMBL6546717 0.83 PDCD1 (0.45) HCAR2PDCD1CD274ESR1ESR2
SCHEMBL6865660 0.82 ALDH1A1 (0.53) MMP2MMP9MMP12MMP14MMP15
SCHEMBL6858937 0.81 ALDH1A1 (0.55) MMP2MMP9MMP12TSHRKDM4E
SCHEMBL6546722 0.81 PDCD1 (0.40) HCAR2PDCD1CD274ESR1ESR2
SCHEMBL6865278 0.80 MMP2 (0.43) MMP2MMP9MMP12MMP14MMP15
SCHEMBL6865607 0.78 TSHR (0.41) PDCD1CD274TSHRKDM4EALDH1A1
SCHEMBL6547348 0.76 PDCD1 (0.57) PDCD1CD274KDM4EHPGDMAPT
SCHEMBL13704325 0.75 ALDH1A1 (0.48) HCAR2PDCD1CD274ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6805921-B2 Liquid crystal display MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-10-19 US disclosed
US-20030102459-A1 Optically active compound and nematic liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO., INC. 2003-06-05 US disclosed
EP-1283253-A1 Optically active compound and nematic liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2003-02-12 EP 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-20030102459-A1 Optically active compound and nematic liquid crystal composition containing the compound NCAPH, H1-0, CNOT1 MMP2 4630/4885MMP9 2530/4885MMP12 4569/4885

“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.