SCHEMBL5684336

SCHEMBL5684336

CCCC1(c2ccc(C(=O)O)cc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXRA P19793 1/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A3 Q01959 3/20 0.39
TP53 P04637 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RARB P10826 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
SCHEMBL5684373 0.91 CNR2 (0.45) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL7607075 0.89 CNR1 (0.50) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5687199 0.88 CNR1 (0.52) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5684217 0.88 CNR1 (0.52) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL28947368 0.88 CNR1 (0.52) HSD11B1ALDH1A1TSHRMEN1KMT2A
SCHEMBL9153794 0.86 RARB (0.51) ALDH1A1TSHRMEN1KMT2ASLC6A4
Hydrochloric Acid SCHEMBL11524179 0.84 RARB (0.50) ALDH1A1TSHRMEN1KMT2ASLC6A4
SCHEMBL12002346 0.80 ESR1 (0.52) HSD11B1SLC6A4SLC6A2SLC6A3CNR1
SCHEMBL28326502 0.79 CNR2 (0.46) HSD11B1POLBMEN1KMT2ACNR1
SCHEMBL2089640 0.79 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1375627-B1 Optically active compound and liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL CO (JP) 2006-03-29 EP disclosed
US-6699532-B2 CHIRAL DOPANT HAVING A HELICAL TWISTING POWER (HTP) OF AT LEAST 50 AND HAVING ITS INDUCED HELICAL PITCH DECREASING IN LENGTH WITH AN INCREASE IN TEMPERATURE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-03-02 US disclosed
US-20040007691-A1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-01-15 US disclosed
EP-1375627-A1 Optically active compound and liquid crystal composition containing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-01-02 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-20040007691-A1 OPTICALLY ACTIVE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND TOP1, ROCK1, SFRP1 HSD11B1 46/4885ALDH1A1 2886/4885LMNA 1620/4885

“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.