SCHEMBL17208135

SCHEMBL17208135

COc1ccc2cc(CC(=O)C(C)C)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.69
▸ AKR1C2 P52895 7/20 0.69
▸ PTGS1 P23219 4/20 0.69
▸ LMNA P02545 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ TSHR P16473 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PTGS2 P35354 4/20 0.50
▸ CDC42 P60953 1/20 0.50
▸ RAC1 P63000 1/20 0.50

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
SCHEMBL3829820 0.84 HTT (0.59) KDM4ETP53CYP3A4SMN1; SMN2TDP1
SCHEMBL17806176 0.84 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1LMNAMAPT
SCHEMBL3175855 0.82 CTBP2 (0.57) CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL18883075 0.82 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1LMNAMAPT
SCHEMBL10536961 0.81 AKR1C3 (0.75) AKR1C3AKR1C2PTGS1LMNAMAPT
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.81 AKR1C3 (1.00) AKR1C3AKR1C2PTGS1LMNAMAPT
SCHEMBL10137777 0.81 CYP1A2 (0.53) CYP1A2SLC6A3MEN1KMT2AL3MBTL1
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504321 0.80 PTGS1 (0.73) AKR1C3AKR1C2PTGS1LMNAMAPT
SCHEMBL9580307 0.80 PTGS1 (0.73) AKR1C3AKR1C2PTGS1LMNAMAPT
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504307 0.80 AKR1C3 (0.97) AKR1C3AKR1C2PTGS1LMNAMAPT

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-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 — — US disclosed
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 — — US disclosed
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof MEDICON PHARMACEUTICALS, INC. (US) 2023-09-12 — — US disclosed
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof MEDICON PHARMACEUTICALS, INC. (US) 2023-09-12 — — US disclosed
US-20200246330-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. (US) 2020-08-06 — — US disclosed
US-20150306232-A1 HYDROGELATORS COMPRISING D-AMINO ACIDS BRANDEIS UNIVERSITY 2015-10-29 — — 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 (4 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-20150306232-A1 HYDROGELATORS COMPRISING D-AMINO ACIDS DNPEP, S100A10, S100A11 AKR1C3 4569/4885AKR1C2 4506/4885PTGS1 239/4885
US-20200246330-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 AKR1C3 1203/4885AKR1C2 1615/4885PTGS1 9/4885
US-11752146-B2 Anti-inflammatory, anti-cancer, and anti-angiogenic compounds, pharmaceutical compositions, and methods of making and using thereof VEGFA, HPGDS, ALOX5 AKR1C3 1203/4885AKR1C2 1615/4885PTGS1 9/4885
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 AKR1C3 1203/4885AKR1C2 1615/4885PTGS1 9/4885

“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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