SCHEMBL19516596

SCHEMBL19516596

CC(C)CCCCCCCCCCCCCCCNCCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PAOX Q6QHF9 2/20 0.52
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4C Q9H3R0 2/20 0.36
KDM4A O75164 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
LMNA P02545 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
DNM1 Q05193 4/20 0.34
ALOX15 P16050 1/20 0.33
HPGD P15428 1/20 0.33

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
Hydrochloric Acid SCHEMBL31278439 0.98 PAOX (0.50) TDP1PAOXALDH1A1TSHRCYP2C9
SCHEMBL27435358 0.92 PAOX (0.47) TDP1PAOXALDH1A1TSHRCYP2C9
SCHEMBL30463700 0.92 CYP2C19 (0.50) TDP1PAOXALDH1A1TSHRCYP2C9
SCHEMBL30463701 0.92 CYP2C19 (0.50) TDP1PAOXALDH1A1TSHRCYP2C9
SCHEMBL30463704 0.92 CYP2C19 (0.50) TDP1PAOXALDH1A1TSHRCYP2C9
SCHEMBL22482665 0.91 TDP1 (0.56) TDP1PAOXALDH1A1TSHRCYP2C9
Lactic Acid SCHEMBL4093963 0.87 PAOX (0.53) TDP1PAOXALDH1A1KDM4EMEN1
SCHEMBL24346553 0.84 LMNA (0.48) ALDH1A1TSHRCYP2C9CYP2C19MEN1
SCHEMBL1507386 0.84 LMNA (0.48) ALDH1A1TSHRCYP2C9CYP2C19MEN1
SCHEMBL1507434 0.84 LMNA (0.48) ALDH1A1TSHRCYP2C9CYP2C19MEN1

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
CN-116528821-A Reduction of tackiness of cosmetic compositions comprising octocrylene 帝斯曼知识产权资产管理有限公司 2023-08-01 CN disclosed
WO-2021081110-A2 PEPTIDES AND USE THEREOF ANEXIGEN, INC. (US) 2021-04-29 WO disclosed
US-20170312209-A1 KERATINOUS FIBER CARE PRODUCT AND METHOD HENKEL AG & CO. KGAA (DE) 2017-11-02 US 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-20170312209-A1 KERATINOUS FIBER CARE PRODUCT AND METHOD KRT18, CUTA, FLNA TDP1 2744/4885PAOX 1452/4885ALDH1A1 911/4885

“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.