Sugi Predict

Sugi Predict / Compounds / SCHEMBL6402074

SCHEMBL6402074

SCHEMBL6402074

CC(C)CC1(OC(=O)c2ccccc2C(=O)O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CTSL P07711 2/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ MYC P01106 2/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ SCN1A P35498 2/20 0.34
▸ SCN2A Q99250 2/20 0.34
▸ SCN3A Q9NY46 2/20 0.34

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
SCHEMBL6402078 0.94 TSHR (0.46) ALDH1A1TSHRCYP3A4TDP1APOBEC3A
SCHEMBL6399681 0.85 TDP1 (0.44) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL24707014 0.83 TDP1 (0.45) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL6405720 0.82 TDP1 (0.42) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL4580415 0.81 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL790335 0.80 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL6400041 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL6400218 0.78 TSHR (0.46) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL6405072 0.77 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9
SCHEMBL6404697 0.77 SCN1A (0.51) ALDH1A1TSHRCYP3A4CYP2D6CYP2C9

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-113671068-B Method for analyzing environmental pollutant targeted exposure group in blood plasma and application thereof 暨南大学 2023-01-24 — — CN disclosed
CN-113671068-A Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof 暨南大学 2021-11-19 — — CN disclosed
US-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester NEW JAPAN CHEMICAL, CO., LTD. (JP) 2005-02-17 — — US disclosed
EP-1227078-A1 DICARBOXYLIC DIESTER, PROCESS FOR PRODUCING THE SAME, AND REFRIGERATING MACHINE LUBRICATING OIL COMPRISING THE ESTER NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-31 — — 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-20050038283-A1 Dicarboxylic diester, process for producing the same, and refrigerating machine lubricating oil comprising the ester SCO2, PDHX, DECR2 ALDH1A1 3078/4885TSHR 3173/4885CYP3A4 575/4885

“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.