SCHEMBL6865660

SCHEMBL6865660

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP12 P39900 3/20 0.49
TSHR P16473 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MMP14 P50281 1/20 0.38
MMP15 P51511 1/20 0.38
MMP16 P51512 1/20 0.38
MMP26 Q9NRE1 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PNLIP P16233 2/20 0.38
MBTD1 Q05BQ5 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
SCHEMBL6858937 0.99 ALDH1A1 (0.55) ALDH1A1MMP2MMP9MMP12TSHR
SCHEMBL6864942 0.89 ALDH1A1 (0.53) ALDH1A1MMP2MMP9MMP12TSHR
SCHEMBL8956837 0.88 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL8956852 0.88 ALDH1A1 (0.58) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL6864250 0.88 ALDH1A1 (0.56) ALDH1A1MMP2MMP9MMP12TSHR
SCHEMBL6867004 0.82 MMP2 (0.41) ALDH1A1MMP2MMP9MMP12TSHR
SCHEMBL6546118 0.82 ALDH1A1 (0.69) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL14525674 0.81 ALDH1A1 (0.49) ALDH1A1
SCHEMBL12083567 0.81 ALDH1A1 (0.72) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL1142463 0.81 ALDH1A1 (0.72) ALDH1A1TSHRKMT2AMEN1L3MBTL1

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 ALDH1A1 3895/4885MMP2 4630/4885MMP9 2530/4885

“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.