Sugi Predict

Sugi Predict / Compounds / SCHEMBL6402078

SCHEMBL6402078

SCHEMBL6402078

CC(C)CC1(OC(=O)c2ccccc2C(=O)OC2(CC(C)C)CCCCC2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HCN4 Q9Y3Q4 3/20 0.35
▸ HCN1 O60741 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SCN1A P35498 2/20 0.35
▸ SCN2A Q99250 2/20 0.35
▸ SCN3A Q9NY46 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CETP P11597 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 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
SCHEMBL6402074 0.94 ALDH1A1 (0.42) TSHRALDH1A1APOBEC3AAPOBEC3GCTSL
SCHEMBL6400218 0.83 TSHR (0.46) TSHRALDH1A1CTSLCTSBCTSK
SCHEMBL6405723 0.80 ALDH1A1 (0.45) TSHRALDH1A1CTSLCTSBCTSK
SCHEMBL790334 0.78 TSHR (0.47) TSHRALDH1A1CTSLCTSBCTSK
SCHEMBL6399681 0.78 TDP1 (0.44) TSHRALDH1A1CTSLCTSBCTSK
SCHEMBL21891527 0.77 P2RX4 (0.38) TSHRALDH1A1APOBEC3AAPOBEC3GCTSL
SCHEMBL4580413 0.77 CTSK (0.49) TSHRALDH1A1CTSLCTSBCTSK
SCHEMBL6400043 0.76 TSHR (0.42) TSHRALDH1A1APOBEC3AAPOBEC3GHCN4
SCHEMBL24707014 0.76 TDP1 (0.45) TSHRALDH1A1TDP1L3MBTL1SCN1A
SCHEMBL6405720 0.75 TDP1 (0.42) TSHRALDH1A1CTSLCTSBCTSK

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 TSHR 3173/4885ALDH1A1 3078/4885APOBEC3A 3507/4885

“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.