SCHEMBL13425369

SCHEMBL13425369

CC(C)=CC/C=C(\C)C1Cc2cc(C(=O)O)cc(CC=C(C)C)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ RXRA P19793 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PTPN1 P18031 6/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ AKR1B10 O60218 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL13425366 0.72 PTPN1 (0.42) HTTOPRK1RXRAHPGDALDH1A1
SCHEMBL3375374 0.70 AKR1C3 (0.54) AKR1B10MMP2AKR1B1AKR1C3PAK1
SCHEMBL3934429 0.65 HTT (0.49) HTTHPGDALDH1A1PTPN1AKR1B10
SCHEMBL30392193 0.64 HTT (0.55) HTTHPGDALDH1A1PTPN1TDP1
SCHEMBL8346381 0.63 HTT (0.58) HTTHPGDALDH1A1PTPN1AKR1B10
SCHEMBL4742841 0.63 PTPN1 (0.48) HTTHPGDALDH1A1PTPN1TDP1
SCHEMBL1607531 0.61 HTT (0.79) HTTHPGDALDH1A1PTPN1AKR1B10
SCHEMBL30392187 0.61 HTT (0.79) HTTHPGDALDH1A1PTPN1AKR1B10
SCHEMBL16224828 0.61 AKR1B10 (0.46) HTTHPGDALDH1A1PTPN1AKR1B10
SCHEMBL6522857 0.59 BACE1 (0.56) PTPN1AKR1B10MMP2AKR1B1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9144539-B2 Methioninase inhibitor and composition and food or drink containing the same Lotte Co, Ltd. (JP) 2015-09-29 — — US disclosed
US-9144539-B2 Methioninase inhibitor and composition and food or drink containing the same Lotte Co, Ltd. (JP) 2015-09-29 — — US disclosed
US-20140308218-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME LOTTE CO LTD (JP) 2014-10-16 — — US disclosed
US-20140308218-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME LOTTE CO LTD (JP) 2014-10-16 — — US disclosed
US-20100069477-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME LOTTE CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069477-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME LOTTE CO., LTD. (JP) 2010-03-18 — — 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 (2 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-20100069477-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME MAT2A, SMS, MAT2B HTT 1440/4885OPRK1 4031/4885RXRA 4721/4885
US-20140308218-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME MAT2A, SMS, MAT2B HTT 1440/4885OPRK1 4031/4885RXRA 4721/4885

“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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