Squalene

Squalene

SCHEMBL23198699

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.O=S(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MAPT P10636 3/20 0.51
PGR P06401 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
PTGS1 P23219 1/20 0.51
PDE4A P27815 1/20 0.51
MAPK1 P28482 1/20 0.51
DRD3 P35462 1/20 0.51
SNCA P37840 1/20 0.51
PDE3A Q14432 1/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
HIF1A Q16665 2/20 0.50
TRPA1 O75762 2/20 0.50
ICMT O60725 1/20 0.50
GMNN O75496 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL6028170 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL27407686 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL6463435 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL28575111 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL2236562 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL14759154 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL7930022 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL2289564 0.84 MAPT (0.49) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL1071266 0.83 MAPT (0.47) KMT2AMAPTPGRHTR1AADORA3
SCHEMBL1071264 0.83 MAPT (0.47) KMT2AMAPTPGRHTR1AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986069-A Method for producing squalene and squalane based on farnesene fermentation broth and application of method 中国科学院青岛生物能源与过程研究所 2024-05-07 CN claimed
CN-117986069-A Method for producing squalene and squalane based on farnesene fermentation broth and application of method 中国科学院青岛生物能源与过程研究所 2024-05-07 CN disclosed
US-20210114953-A1 SYNTHESIS OF E,E-FARNESOL, FARNESYL ACETATE AND SQUALENE FROM FARNESENE VIA FARNESYL CHLORIDE EUAGORE, LLC 2021-04-22 US disclosed
EP-3802471-A1 SYNTHESIS OF E,E-FARNESOL, FARNESYL ACETATE AND SQUALENE FROM FARNESENE VIA FARNESYL CHLORIDE Amyris, Inc. (US) 2021-04-14 EP disclosed
CN-112262116-A Synthesis of E, E-farnesol, farnesyl acetate and squalene from farnesene via farnesyl chloride 阿迈瑞斯公司 2021-01-22 CN 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-20210114953-A1 SYNTHESIS OF E,E-FARNESOL, FARNESYL ACETATE AND SQUALENE FROM FARNESENE VIA FARNESYL CHLORIDE FDFT1, SQLE, FDPS KMT2A 3541/4885MAPT 4833/4885PGR 4594/4885

“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.