SCHEMBL13425366

SCHEMBL13425366

CC(C)=CCC[C@]1(C)Oc2c(CC=C(C)C)cc(C(=O)O)cc2C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.42
▸ RXRA P19793 1/20 0.41
▸ ALOX5 P09917 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ ODC1 P11926 1/20 0.33
▸ OSBP P22059 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ APP P05067 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL29870166 0.79 TDP1 (0.46) PTPN1RXRAALOX5ALOX15ALOX12
SCHEMBL29870167 0.79 TDP1 (0.46) PTPN1RXRAALOX5ALOX15ALOX12
SCHEMBL13425367 0.72 PTPN1 (0.44) PTPN1RXRAALOX5ALOX15HTT
SCHEMBL13425369 0.72 HTT (0.36) PTPN1RXRAHTTOPRK1ALDH1A1
SCHEMBL17877817 0.71 OPRM1 (0.41) PTPN1OPRK1OPRM1
SCHEMBL31058467 0.70 PTPN1 (0.39) PTPN1RXRAALOX5
SCHEMBL15249294 0.70 PTPN1 (0.39) PTPN1RXRAALOX5
SCHEMBL15397968 0.70 AKR1C3 (0.54) PTPN1RXRAALOX5OSBP
SCHEMBL15397966 0.70 AKR1C3 (0.54) PTPN1RXRAALOX5OSBP
SCHEMBL4742841 0.68 PTPN1 (0.48) PTPN1ALOX5HTTODC1ALDH1A1

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 PTPN1 3193/4885RXRA 4721/4885ALOX5 2307/4885
US-20140308218-A1 METHIONINASE INHIBITOR AND COMPOSITION AND FOOD OR DRINK CONTAINING THE SAME MAT2A, SMS, MAT2B PTPN1 3193/4885RXRA 4721/4885ALOX5 2307/4885

“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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