SCHEMBL6865607

SCHEMBL6865607

C#Cc1ccc(C(=O)O[C@H](C)CC(CC)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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 0.88 TSHR (0.43) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6865278 0.85 MMP2 (0.43) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6388169 0.82 CA12 (0.59) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6388164 0.82 CA12 (0.59) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6858922 0.81 CA12 (0.41) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6549016 0.79 MAPT (0.47) TSHRL3MBTL1CA12CA1CA2
SCHEMBL6865271 0.79 ALDH1A1 (0.51) TSHRL3MBTL1ALDH1A1CYP2C9MAPT
SCHEMBL6394341 0.78 CA12 (0.54) TSHRCA12CA1CA2CA7
SCHEMBL6867004 0.78 MMP2 (0.41) TSHRALDH1A1CYP2C9MAPTPDCD1
SCHEMBL6865657 0.78 ALDH1A1 (0.53) TSHRL3MBTL1ALDH1A1MAPTKDM4E

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 605/4885CA12 1667/4885

“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.