SCHEMBL17351913

SCHEMBL17351913

CC1=C(C(=O)CCCCCCC(=O)O)C(=O)OC(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ ACP1 P24666 3/20 0.41
▸ CDC25B P30305 3/20 0.41
▸ HPSE Q9Y251 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ DUSP3 P51452 1/20 0.41
▸ HDAC11 Q96DB2 4/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL17351912 1.00 PTPN1 (0.41) PTPN1TDP1ACP1CDC25BHPSE
SCHEMBL17356811 0.89 PTPN1 (0.53) PTPN1TDP1ACP1CDC25BHPSE
SCHEMBL17356821 0.89 PTPN1 (0.53) PTPN1TDP1ACP1CDC25BHPSE
SCHEMBL17356818 0.89 PTPN1 (0.53) PTPN1TDP1ACP1CDC25BHPSE
SCHEMBL17356813 0.85 PTPN1 (0.39) PTPN1TDP1ACP1CDC25BHPSE
SCHEMBL17356820 0.82 PTPN1 (0.38) PTPN1TDP1ACP1CDC25BHPSE
Adipic Acid SCHEMBL6266341 0.63 LMNA (0.48) PTPN1TDP1HDAC11ABL1IDE
SCHEMBL7329411 0.63 TDP1 (0.46) PTPN1TDP1HDAC11HDAC3HDAC4
Sebacic Acid SCHEMBL8734393 0.61 TSHR (0.80) PTPN1TDP1MAPTHDAC11PPARG
Azelaic Acid SCHEMBL8066502 0.61 TSHR (0.92) PTPN1TDP1RECQLHDAC11PPARG

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-105209038-B Osteopontin with dictyostelium discoideum pyrone derivative or dihydro dictyostelium discoideum pyrone derivative as active ingredient produces inhibitor 国立大学法人东北大学 2017-06-09 — — CN disclosed
US-9463188-B2 Osteopontin production inhibitor containing dictyopyrone derivative or dihydrodictyopyrone derivative as active ingredient TOHOKU UNIVERSITY (JP) 2016-10-11 — — US disclosed
CN-105209038-A Osteopontin production inhibitor comprising dictyopyrone derivative or dihydrodictyopyrone derivative as active ingredient UNIV TOHOKU NAT UNIV CORP 2015-12-30 — — CN disclosed
US-20150366851-A1 OSTEOPONTIN PRODUCTION INHIBITOR CONTAINING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT TOHOKU UNIVERSITY (JP) 2015-12-24 — — 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-20150366851-A1 OSTEOPONTIN PRODUCTION INHIBITOR CONTAINING DICTYOPYRONE DERIVATIVE OR DIHYDRODICTYOPYRONE DERIVATIVE AS ACTIVE INGREDIENT SPPL2B, DPYSL3, DIAPH1 PTPN1 1624/4885TDP1 1952/4885ACP1 142/4885

“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.

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