SCHEMBL6822982

SCHEMBL6822982

C=CCC(CC)C(CC)CCC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL14480913 0.87 TSHR (0.38) TSHRMMP9ALDH1A1
SCHEMBL9075468 0.86 MMP9 (0.33) LMNATSHRMMP9
SCHEMBL18638803 0.80 MMP9 (0.35) TSHRMMP9ALDH1A1
SCHEMBL1404786 0.78 LMNA (0.48) LMNATSHRALDH1A1
SCHEMBL7156781 0.76 TSHR (0.38) TSHRMMP9ALDH1A1
SCHEMBL6692893 0.75 METAP1 (0.38) LMNA
SCHEMBL19072756 0.74 LMNA (0.46) LMNATSHR
SCHEMBL16718867 0.74 LMNA (0.46) LMNATSHR
SCHEMBL18394262 0.74
SCHEMBL10257986 0.73 METAP1 (0.35) TSHRMMP9

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
CN-1484626-A Method for the production of alkyl aryl sulphonates 巴斯福股份公司 2004-03-24 CN disclosed
US-20040030209-A1 Catalytic alkylation using zeolite; sulfonation; neutralization BASF AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1343742-A1 METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
WO-2002044114-A1 METHOD FOR THE PRODUCTION OF ALKYL ARYL SULPHONATES BASF AKTIENGESELLSCHAFT (DE) 2002-06-06 WO 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-20040030209-A1 Catalytic alkylation using zeolite; sulfonation; neutralization TPSD1, CYP2F1, CYP2S1 LMNA 1668/4885TSHR 3391/4885MMP9 382/4885

“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.