SCHEMBL187791

SCHEMBL187791

O=C(O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.61
PTGS2 P35354 2/20 0.57
AKR1B1 P15121 1/20 0.55
TDP1 Q9NUW8 2/20 0.48
IDO1 P14902 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
EPHX2 P34913 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.46
CXCL8 P10145 2/20 0.46
RBP4 P02753 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL29718585 1.00 POLQ (0.61) POLQPTGS2AKR1B1TDP1IDO1
Hydrochloric Acid SCHEMBL2529825 0.98 POLQ (0.59) POLQPTGS2AKR1B1TDP1IDO1
Methyl Alcohol SCHEMBL8011354 0.96 POLQ (0.62) POLQPTGS2AKR1B1TDP1IDO1
SCHEMBL6864363 0.86 POLQ (0.58) POLQPTGS2TDP1IDO1SIGMAR1
SCHEMBL29718842 0.85 PTGS2 (0.49) POLQPTGS2AKR1B1TDP1SIGMAR1
SCHEMBL9892644 0.85 PTGS2 (0.52) POLQPTGS2AKR1B1TDP1ALDH1A1
SCHEMBL3862724 0.85 POLQ (0.58) POLQPTGS2TDP1IDO1SIGMAR1
SCHEMBL18535538 0.85 AKR1B1 (0.52) POLQPTGS2AKR1B1TDP1EPHX2
SCHEMBL6971669 0.84 POLQ (0.57) POLQPTGS2TDP1IDO1SIGMAR1
SCHEMBL538805 0.83 POLB (0.58) POLQPTGS2TDP1IDO1SIGMAR1

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 647 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110550-A1 COMPLEX FOR GENE DELIVERY 전남대학교산학협력단 2025-05-30 WO claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
WO-2023035571-A1 SYNTHESIS METHOD FOR ESAXERENONE AND INTERMEDIATE THEREOF 上海鼎雅药物化学科技有限公司 2023-03-16 WO claimed
CN-115784961-A Synthesis method of oxacillin and intermediate thereof 上海鼎雅药物化学科技有限公司 2023-03-14 CN claimed
CN-108883399-B Fenfluramine composition and preparation method thereof 周格尼克斯国际有限公司 2021-06-22 CN claimed
EP-3800177-A1 FENFLURAMINE COMPOSITIONS AND METHODS OF PREPARING THE SAME Zogenix International Limited (GB) 2021-04-07 EP claimed
CN-107565033-B Nickel oxide film and preparation method thereof, functional material, manufacturing method of film structure and electroluminescent device 浙江大学 2021-02-26 CN claimed
EP-3393655-B1 FENFLURAMINE COMPOSITIONS AND METHODS OF PREPARING THE SAME ZOGENIX INTERNATIONAL LTD (GB) 2020-12-09 EP claimed
CN-108883399-A Fenfluramine composition and preparation method thereof 周格尼克斯国际有限公司 2018-11-23 CN claimed
EP-3393655-A1 FENFLURAMINE COMPOSITIONS AND METHODS OF PREPARING THE SAME Zogenix International Limited (GB) 2018-10-31 EP claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-1504002-A1 OPTICALLY ACTIVE &bgr;-AMINOKETONES, OPTICALLY ACTIVE 1,3-AMINOALCOHOLS AND METHOD FOR THE PRODUCTION THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-02-09 EP claimed
EP-1458701-A1 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. Lundbeck A/S (DK) 2004-09-22 EP claimed
WO-2003093259-A1 OPTICALLY ACTIVE β-AMINOKETONES, OPTICALLY ACTIVE 1,3-AMINOALCOHOLS AND METHOD FOR THE PRODUCTION THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 WO claimed
WO-2003051861-A1 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2003-06-26 WO claimed

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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 POLQ 2157/4885PTGS2 3949/4885AKR1B1 1963/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 POLQ 590/4885PTGS2 3503/4885AKR1B1 2784/4885

“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.