SCHEMBL6865284

SCHEMBL6865284

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP14 P50281 1/20 0.40
MMP15 P51511 1/20 0.40
MMP16 P51512 1/20 0.40
MMP26 Q9NRE1 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ACACB O00763 8/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL6865278 0.90 MMP2 (0.43) TSHRL3MBTL1MMP2MMP9MMP12
SCHEMBL6867004 0.89 MMP2 (0.41) TSHRMMP2MMP9MMP12MMP14
SCHEMBL6865607 0.88 TSHR (0.41) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6388169 0.84 CA12 (0.59) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6388164 0.84 CA12 (0.59) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6858922 0.83 CA12 (0.41) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6549016 0.82 MAPT (0.47) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6394341 0.81 CA12 (0.54) TSHRCA12CA1CA2CA7
SCHEMBL6393368 0.79 TSHR (0.44) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6393362 0.79 TSHR (0.44) TSHRL3MBTL1CA12CA1CA2

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 TSHR 4320/4885L3MBTL1 605/4885MMP2 4630/4885

“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.