SCHEMBL7523435

SCHEMBL7523435

C=CCCC1CCC(CCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7909097 0.94 TSHR (0.41) TSHRALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL7909105 0.94 TSHR (0.41) TSHRALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL8045333 0.94 TSHR (0.39) TSHRALDH1A1CYP1A2CYP2C9
SCHEMBL7915493 0.90 TSHR (0.36) TSHRALDH1A1
SCHEMBL7915501 0.90 TSHR (0.36) TSHRALDH1A1
SCHEMBL7915496 0.90 TSHR (0.36) TSHRALDH1A1
SCHEMBL7915488 0.90 TSHR (0.36) TSHRALDH1A1
SCHEMBL7909226 0.88 TSHR (0.37) TSHRALDH1A1CYP1A2LMNAMAPK1
SCHEMBL7909232 0.88 TSHR (0.37) TSHRALDH1A1CYP1A2LMNAMAPK1
SCHEMBL7909218 0.88 TSHR (0.37) TSHRALDH1A1CYP1A2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020015804-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2002-02-07 US disclosed
EP-0976703-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2000-02-02 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-20020015804-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CXCR1, CCR1, CXCR2 TSHR 2972/4885ALDH1A1 1317/4885CYP1A2 194/4885

“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.