SCHEMBL6865271

SCHEMBL6865271

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.49
PNLIP P16233 2/20 0.41
FAAH O00519 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL6865657 0.99 ALDH1A1 (0.53) ALDH1A1TSHRPNLIPFAAHL3MBTL1
SCHEMBL6864942 0.89 ALDH1A1 (0.53) ALDH1A1TSHRFAAHL3MBTL1KDM4E
SCHEMBL28344298 0.87 ALDH1A1 (0.52) ALDH1A1TSHRFAAHL3MBTL1KDM4E
SCHEMBL6864250 0.87 ALDH1A1 (0.56) ALDH1A1TSHRPNLIPFAAHL3MBTL1
SCHEMBL1704751 0.87 ALDH1A1 (0.64) ALDH1A1TSHRPNLIPFAAHL3MBTL1
SCHEMBL7175934 0.84 ALDH1A1 (0.57) ALDH1A1TSHRFAAHL3MBTL1KDM4E
SCHEMBL7171711 0.84 ALDH1A1 (0.57) ALDH1A1TSHRFAAHL3MBTL1KDM4E
SCHEMBL7870401 0.83 TSHR (0.56) ALDH1A1TSHRFAAHL3MBTL1MAPT
SCHEMBL6390359 0.82 CA12 (0.57) ALDH1A1TSHRPNLIPFAAH
SCHEMBL9493320 0.82 ALDH1A1 (0.59) ALDH1A1TSHRFAAHL3MBTL1KDM4E

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 3895/4885TSHR 4320/4885PNLIP 4079/4885

“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.